Personale

Recapiti

Orario di ricevimento

Italiano

Biografia

Curriculum

Pubblicazioni

Insegnamenti

English

Curriculum

Paola GRATTERI

Ruolo attuale:: Professore Associato
SSD:: CHEM-07/A - Chimica farmaceutica
Afferenza organizzativa:: Dipartimento di Neuroscienze, Psicologia, Area del Farmaco e Salute del Bambino (NEUROFARBA)

Recapiti

	0554573702
	paola.gratteri(AT)unifi.it

Ulteriori Recapiti

	Dipartimento NEUROFARBA sezione Farmaceutica e Nutraceutica
	0554573701/2
	paola.gratteri(AT)unifi.it

Paola GRATTERI

Curriculum

Paola Gratteri ha conseguito il titolo di dottore di ricerca in Chimica del farmaco nel 1992 (Università degli studi di Firenze). È stata postdoctoral fellow all’Università di Aix-Marseille III—Laboratoire de la MIthodologie de la Recherche ExpIrimentale, France (1994) e presso il Laboratorio di Chemiometria, Perugia Italy (1996). Ricercatore universitario dal 1992 al 2001, dal 2001 è professore associato presso l’Università degli studi di Firenze.

Ha ottenuto l’Abilitazione Scientifica Nazionale per la prima fascia docente del settore 03/D1 Chimica e Tecnologie Farmaceutiche, Tossicologiche e Nutraceutico-Alimentari (validità: dal 31/07/2017 al 31/07/2028, https://asn16.cineca.it/pubblico/miur/esito-abilitato/03%252FD1/1/2)

I suoi interessi di ricerca coprono lo sviluppo ed applicazione degli strumenti della chimica computazionale, della bioinformatica e della grafica molecolare applicati alla progettazione razionale di farmaci ed individuazione di leads. Gli approcci computazionali principalmente utilizzati, di tipo structure-based e ligand-based, fanno riferimento al ▪ docking molecolare; ▪ simulazioni di molecular dynamics; ▪ metodologie di meccanica statistica per l’analisi della termodinamica del processo di formazione del complesso ligande-recettore; ▪ metodi misti QM/MM; ▪ predizione di proprietà ADMET; ▪ realizzazione di database chimico-strutturale dei composti ed intermedi di reazione; ▪ screening virtuale; ▪ applicazione di tecniche di modellazione per omologia.

Target di principale interesse: ▪ DNA, tanto nella sua conformazione a doppia elica (ds) che nell’avvolgimento non canonico G-quadruplex; ▪ anidrasi carbonica tanto umana che batterica; ▪ recettori canale; ▪ recettori accoppiati a proteine G.

L'attività scientifica complessiva della Prof. P. Gratteri è riassunta dalle pubblicazioni su riviste internazionali (https://pubmed.ncbi.nlm.nih.gov/?term=Gratteri+P+&sort=date&show_snippets=off; https://www.scopus.com/authid/detail.uri?authorId=6701616951 e comunicazioni (orali e poster) a convegni, nazionali ed internazionali.

Grazie al carattere interdisciplinare delle sue linee di ricerca, la Prof. Gratteri ha stabilito negli anni numerose collaborazioni scientifiche sia nazionali che internazionali, acquisendo esperienza nel coordinamento e gestione di progetti.

Ha partecipato e diretto progetti di ricerca nazionali ed internazionali; svolge attività di referaggio per numerose riviste scientifiche a diffusione internazionale ed ha ricoperto incarichi accademico-gestionali (Presidente di corso di laurea, vicepresidente di corso di laurea, membro e Presidente della Commissione paritetica Docenti Studenti della Scuola di Scienze della Salute Umana; Delegato della Scuola di Scienze della Salute Umana; Responsabile scientifico dei laboratori didattici Area del farmaco - Delegato del Direttore del dipartimento NEUROFARBA, con responsabilità di funzionamento, gestione fondi e personale della struttura dei laboratori didattici), di coordinamento e responsabilità nella gestione dei sistemi di assicurazione qualità (AQ) della didattica, di revisore per la valutazione di prodotti della ricerca nell’ambito della VQR 2015-2019 e key-user VQR 2015-2019 e 2020-2024.

È attualmente titolare di corsi di insegnamento con attività laboratoriali a posto singolo per i corsi di laurea: L29-Scienze farmaceutiche applicate - Controllo Qualità, LM13-Farmacia, LM13-Chimica e tecnologia farmaceutiche. La Prof. Paola Gratteri è inoltre componente di commissioni di esami di profitto. Ha curato lo svolgimento di tesi sperimentali di laurea ed è supervisore di tesi di dottorato in Area del Farmaco e trattamenti innovativi.

Paola GRATTERI

Pubblicazioni

Legenda

Contributo su rivista |

Articolo su libro |

Libro |

Contributo in atti di convegno (proceeding) |

Brevetto |

Curatela | Altro

Altro |

Tesi di Dottorato

Bua, Silvia; Bonardi, Alessandro; Mük, Georgiana Ramona; Nocentini, Alessio; Gratteri, Paola; Supuran, Claudiu T. (2024). Benzothiadiazinone-1,1-Dioxide Carbonic Anhydrase Inhibitors Suppress the Growth of Drug-Resistant Mycobacterium tuberculosis Strains. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, vol. 25, pp. 0-0, ISSN:1422-0067 DOI

Nocentini A.; Costa A.; Bonardi A.; Ammara A.; Giovannuzzi S.; Petreni A.; Bartolucci G.; Rani B.; Leri M.; Bucciantini M.; Fernandez-Bolanos J.G.; Lopez O.; Passani M.B.; Provensi G.; Gratteri P.; Supuran C.T. (2024). Enhanced Recognition Memory through Dual Modulation of Brain Carbonic Anhydrases and Cholinesterases. JOURNAL OF MEDICINAL CHEMISTRY, vol. 67, pp. 16873-16898, ISSN:1520-4804 DOI

De Luca, Viviana; Angeli, Andrea; Nocentini, Alessio; Gratteri, Paola; Pratesi, Silvia; Tanini, Damiano; Carginale, Vincenzo; Capperucci, Antonella; Supuran, Claudiu T.; Capasso, Clemente (2024). Leveraging SARS-CoV-2 Main Protease (Mpro) for COVID-19 Mitigation with Selenium-Based Inhibitors. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, vol. 25, pp. 0-0, ISSN:1422-0067 DOI

Al-Matarneh, Cristina M.; Pinteala, Mariana; Nicolescu, Alina; Silion, Mihaela; Mocci, Francesca; Puf, Razvan; Angeli, Andrea; Ferraroni, Marta; Supuran, Claudiu T.; Zara, Susi; Carradori, Simone; Paoletti, Niccolò; Bonardi, Alessandro; Gratteri, Paola (2024). Synthetic Approaches to Novel Human Carbonic Anhydrase Isoform Inhibitors Based on Pyrrol-2-one Moiety. JOURNAL OF MEDICINAL CHEMISTRY, vol. 67, pp. 3018-3038, ISSN:0022-2623 DOI

Emanuela Berrino; Bastien Michelet; Kassandra Vitse; Alessio Nocentini; Gianluca Bartolucci; Agnès Martin-Mingot; Paola Gratteri; Fabrizio Carta; Claudiu T. Supuran; Sébastien Thibaudeau (2024). Superacid-Synthesized Fluorinated Diamines Act as Selective hCA IV Inhibitors. JOURNAL OF MEDICINAL CHEMISTRY, pp. 0-0, ISSN:0022-2623 DOI

Morteza Abdoli; Alessandro Bonardi; Paola Gratteri; Claudiu T Supuran; Raivis Žalubovskis (2024). Synthesis, carbonic anhydrase inhibition studies and modelling investigations of phthalimide-hydantoin hybrids. JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY, vol. 39, pp. 1-9, ISSN:1475-6374 DOI

Giovannuzzi, Simone; Chavarria, Daniel; Provensi, Gustavo; Leri, Manuela; Bucciantini, Monica; Carradori, Simone; Bonardi, Alessandro; Gratteri, Paola; Borges, Fernanda; Nocentini, Alessio; Supuran, Claudiu T. (2024). Dual Inhibitors of Brain Carbonic Anhydrases and Monoamine Oxidase-B Efficiently Protect against Amyloid-β-Induced Neuronal Toxicity, Oxidative Stress, and Mitochondrial Dysfunction. JOURNAL OF MEDICINAL CHEMISTRY, vol. 67, pp. 4170-4193, ISSN:0022-2623 DOI

Badawi, Waleed A; Rashed, Mahmoud; Nocentini, Alessio; Bonardi, Alessandro; Abd-Alhaseeb, Mohammad M; Al-Rashood, Sara T; Veerakanellore, Giri Babu; Majrashi, Taghreed A; Elkaeed, Eslam B; Elgendy, Bahaa; Gratteri, Paola; Supuran, Claudiu T; Eldehna, Wagdy M; Elagawany, Mohamed (2023). Identification of new 4-(6-oxopyridazin-1-yl)benzenesulfonamides as multi-target anti-inflammatory agents targeting carbonic anhydrase, COX-2 and 5-LOX enzymes: synthesis, biological evaluations and modelling insights. JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY, vol. 38, pp. 0-0, ISSN:1475-6374 DOI Accesso ONLINE all'editore

Abdoli, Morteza; Bonardi, Alessandro; Paoletti, Niccolò; Aspatwar, Ashok; Parkkila, Seppo; Gratteri, Paola; Supuran, Claudiu T; Žalubovskis, Raivis (2023). Inhibition Studies on Human and Mycobacterial Carbonic Anhydrases with N-((4-Sulfamoylphenyl)carbamothioyl) Amides. MOLECULES, vol. 28, pp. 0-0, ISSN:1420-3049 DOI Accesso ONLINE all'editore

Sobati, Marjan; Abdoli, Morteza; Bonardi, Alessandro; Gratteri, Paola; Supuran, Claudiu T; Žalubovskis, Raivis (2023). Inhibition Profiles of Some Novel Sulfonamide-Incorporated α-Aminophosphonates on Human Carbonic Anhydrases. ACS MEDICINAL CHEMISTRY LETTERS, vol. 14, pp. 1067-1072, ISSN:1948-5875 DOI Accesso ONLINE all'editore

Nocentini, Alessio; Bonardi, Alessandro; Bazzicalupi, Carla; Alterio, Vincenzo; Esposito, Davide; Monti, Simona Maria; Smietana, Michael; De Simone, Giuseppina; Supuran, Claudiu T; Gratteri, Paola; Winum, Jean-Yves (2023). 6-Substituted Triazolyl Benzoxaboroles as Selective Carbonic Anhydrase Inhibitors: In Silico Design, Synthesis, and X-ray Crystallography. JOURNAL OF MEDICINAL CHEMISTRY, vol. 66, pp. 8118-8129, ISSN:0022-2623 DOI Accesso ONLINE all'editore

Ommi, Ojaswitha; Paoletti, Niccolò; Bonardi, Alessandro; Gratteri, Paola; Bhalerao, Harshada Anil; Sau, Shashikanta; Nanduri, Srinivas; Mohammed, Arifuddin; Kalia, Nitin Pal; Sonti, Rajesh; Supuran, Claudiu T; Yaddanapudi, Venkata Madhavi (2023). Exploration of 3-aryl pyrazole-tethered sulfamoyl carboxamides as carbonic anhydrase inhibitors. ARCHIV DER PHARMAZIE, vol. 356, pp. 0-0, ISSN:0365-6233 DOI

Peerzada, Mudasir Nabi; Vullo, Daniela; Paoletti, Niccolò; Bonardi, Alessandro; Gratteri, Paola; Supuran, Claudiu T; Azam, Amir (2023). Discovery of Novel Hydroxyimine-Tethered Benzenesulfonamides as Potential Human Carbonic Anhydrase IX/XII Inhibitors. ACS MEDICINAL CHEMISTRY LETTERS, vol. 14, pp. 810-819, ISSN:1948-5875 DOI

Ialongo, D; Messore, A; Madia, VN; Tudino, V; Nocentini, A; Gratteri, P; Giovannuzzi, S; Supuran, CT; Nicolai, A; Scarpa, S; Taurone, S; Camarda, M; Artico, M; Papa, V; Saccoliti, F; Scipione, L; Di Santo, R; Costi, R (2023). Pyrrolyl and Indolyl alpha-gamma-Diketo Acid Derivatives Acting as Selective Inhibitors of Human Carbonic Anhydrases IX and XII. PHARMACEUTICALS, vol. 16, pp. 188-188, ISSN:1424-8247 DOI

Astrain-Redin N.; Paoletti N.; Plano D.; Bonardi A.; Gratteri P.; Angeli A.; Sanmartin C.; Supuran C.T. (2023). Selenium-analogs based on natural sources as cancer-associated carbonic anhydrase isoforms IX and XII inhibitors. JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY, vol. 38, pp. 2191165-2191165, ISSN:1475-6366 DOI Accesso ONLINE all'editore

Giovannuzzi, Simone; Bonardi, Alessandro; Gratteri, Paola; Nocentini, Alessio; Supuran, Claudiu T (2023). Discovery of the first-in-class potent and isoform-selective human carbonic anhydrase III inhibitors. JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY, vol. 38, pp. 0-0, ISSN:1475-6374 DOI

Begines, Paloma; Bonardi, Alessandro; Nocentini, Alessio; Gratteri, Paola; Giovannuzzi, Simone; Ronca, Roberto; Tavani, Camilla; Luisa Massardi, Maria; López, Óscar; Supuran, Claudiu T (2023). Design and synthesis of sulfonamides incorporating a biotin moiety: Carbonic anhydrase inhibitory effects, antiproliferative activity and molecular modeling studies. BIOORGANIC & MEDICINAL CHEMISTRY, vol. 94, pp. 117467-117482, ISSN:0968-0896 DOI

Ragab, Mahmoud A; Eldehna, Wagdy M; Nocentini, Alessio; Bonardi, Alessandro; Okda, Hazem E; Elgendy, Bahaa; Ibrahim, Tarek S; Abd-Alhaseeb, Mohammad M; Gratteri, Paola; Supuran, Claudiu T; Al-Karmalawy, Ahmed A; Elagawany, Mohamed (2023). 4-(5-Amino-pyrazol-1-yl)benzenesulfonamide derivatives as novel multi-target anti-inflammatory agents endowed with inhibitory activity against COX-2, 5-LOX and carbonic anhydrase: Design, synthesis, and biological assessments. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, vol. 250, pp. 115180-115180, ISSN:0223-5234 DOI

Bazzicalupi, Carla; Bonardi, Alessandro; Biver, Tarita; Ferraroni, Marta; Papi, Francesco; Savastano, Matteo; Lombardi, Paolo; Gratteri, Paola (2022). Probing the Efficiency of 13-Pyridylalkyl Berberine Derivatives to Human Telomeric G-Quadruplexes Binding: Spectroscopic, Solid State and In Silico Analysis. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, vol. 23, pp. 14061-14076, ISSN:1422-0067 DOI Accesso ONLINE all'editore

Banoglu, Erden; Ercanlı, Taner; Gür Maz, Tuğçe; Vullo, Daniela; Bonardi, Alessandro; Gratteri, Paola; Supuran, Claudiu T (2022). A Series of Thiadiazolyl-Benzenesulfonamides Incorporating an Aromatic Tail as Isoform-Selective, Potent Carbonic Anhydrase II/XII Inhibitors. CHEMMEDCHEM, vol. 17, pp. 0-0, ISSN:1860-7179 DOI

Bonardi, Alessandro; Bua, Silvia; Combs, Jacob; Lomelino, Carrie; Andring, Jacob; Osman, Sameh Mohamed; Toti, Alessandra; Di Cesare Mannelli, Lorenzo; Gratteri, Paola; Ghelardini, Carla; McKenna, Robert; Nocentini, Alessio; Supuran, Claudiu T (2022). The three-tails approach as a new strategy to improve selectivity of action of sulphonamide inhibitors against tumour-associated carbonic anhydrase IX and XII. JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY, vol. 37, pp. 930-939-939, ISSN:1475-6366 DOI

Kumar R.; Kumar A.; Ram S.; Angeli A.; Bonardi A.; Nocentini A.; Gratteri P.; Supuran C.T.; Sharma P.K. (2022). Novel benzenesulfonamide-bearing pyrazoles and 1,2,4-thiadiazoles as selective carbonic anhydrase inhibitors. ARCHIV DER PHARMAZIE, vol. 355, pp. e2100241-e2100241, ISSN:0365-6233 DOI Accesso ONLINE all'editore

Sbravati D.; Bonardi A.; Bua S.; Angeli A.; Ferraroni M.; Nocentini A.; Casnati A.; Gratteri P.; Sansone F.; Supuran C.T. (2022). Calixarenes Incorporating Sulfonamide Moieties: Versatile Ligands for Carbonic Anhydrases Inhibition. CHEMISTRY-A EUROPEAN JOURNAL, vol. 28, pp. 1-8, ISSN:0947-6539 DOI Accesso ONLINE all'editore

Arias, Hugo R; Borghese, Cecilia M; Germann, Allison L; Pierce, Spencer R; Bonardi, Alessandro; Nocentini, Alessio; Gratteri, Paola; Thodati, Thanvi M; Lim, Natalie J; Harris, R Adron; Akk, Gustav (2022). (+)-Catharanthine potentiates the GABAA receptor by binding to a transmembrane site at the β(+)/α(-) interface near the TM2-TM3 loop. BIOCHEMICAL PHARMACOLOGY, vol. 199, pp. 114993-114993, ISSN:1873-2968 DOI

Elimam D.M.; Eldehna W.M.; Salem R.; Bonardi A.; Nocentini A.; Al-Rashood S.T.; Elaasser M.M.; Gratteri P.; Supuran C.T.; Allam H.A. (2022). Natural inspired ligustrazine-based SLC-0111 analogues as novel carbonic anhydrase inhibitors. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, vol. 228, pp. 114008-114019, ISSN:0223-5234 DOI Accesso ONLINE all'editore

Nocentini A.; Bonardi A.; Pratesi S.; Gratteri P.; Dani C.; Supuran C.T. (2022). Pharmaceutical strategies for preventing toxicity and promoting antioxidant and anti-inflammatory actions of bilirubin. JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY, vol. 37, pp. 487-501, ISSN:1475-6366 DOI Accesso ONLINE all'editore

Cirri, Damiano; Bazzicalupi, Carla; Ryde, Ulf; Bergmann, Justin; Binacchi, Francesca; Nocentini, Alessio; Pratesi, Alessandro; Gratteri, Paola; Messori, Luigi (2022). Computationally enhanced X-ray diffraction analysis of a gold(III) complex interacting with the human telomeric DNA G-quadruplex. Unravelling non-unique ligand positioning. INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, vol. 211, pp. 506-513, ISSN:0141-8130 DOI

Bonardi, Alessandro; Micheli, Laura; Di Cesare Mannelli, Lorenzo; Ghelardini, Carla; Gratteri, Paola; Nocentini, Alessio; Supuran, Claudiu T (2022). Development of Hydrogen Sulfide-Releasing Carbonic Anhydrases IX- and XII-Selective Inhibitors with Enhanced Antihyperalgesic Action in a Rat Model of Arthritis. JOURNAL OF MEDICINAL CHEMISTRY, vol. 65, pp. 13143-13157, ISSN:1520-4804 DOI

Chiaramonte N.; Angeli A.; Sgambellone S.; Bonardi A.; Nocentini A.; Bartolucci G.; Braconi L.; Dei S.; Lucarini L.; Teodori E.; Gratteri P.; Wunsch B.; Supuran C.T.; Romanelli M.N. (2022). 2-(2-Hydroxyethyl)piperazine derivatives as potent human carbonic anhydrase inhibitors: Synthesis, enzyme inhibition, computational studies and antiglaucoma activity. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, vol. 228, pp. 0-0, ISSN:0223-5234 DOI

Abdelrahman M.A.; Ibrahim H.S.; Nocentini A.; Eldehna W.M.; Bonardi A.; Abdel-Aziz H.A.; Gratteri P.; Abou-Seri S.M.; Supuran C.T. (2021). Novel 3-substituted coumarins as selective human carbonic anhydrase IX and XII inhibitors: Synthesis, biological and molecular dynamics analysis. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, vol. 209, pp. 0-0, ISSN:0223-5234 DOI

Grande R.; Carradori S.; Puca V.; Vitale I.; Angeli A.; Nocentini A.; Bonardi A.; Gratteri P.; Lanuti P.; Bologna G.; Simeone P.; Capasso C.; De Luca V.; Supuran C.T. (2021). Selective inhibition of helicobacter pylori carbonic anhydrases by carvacrol and thymol could impair biofilm production and the release of outer membrane vesicles. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, vol. 22, pp. 11583-11603, ISSN:1661-6596 DOI Accesso ONLINE all'editore

Bouzina A.; Berredjem M.; Nocentini A.; Bua S.; Bouaziz Z.; Jose J.; Le Borgne M.; Marminon C.; Gratteri P.; Supuran C.T. (2021). Ninhydrins inhibit carbonic anhydrases directly binding to the metal ion. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, vol. 209, pp. 112875-112882, ISSN:0223-5234 DOI

Bonardi Alessandro, Nocentini Alessio, Gratteri Paola, Supuran Claudiu Trandafir (2021). In silico strategies for the rational design, synthesis, and biological evaluation of ligands targeting macromolecules of pharmaceutical interest. (Tutor: Prof.ssa Paola Gratteri, Prof. Claudiu T. Supuran)

Bonardi A.; Nocentini A.; Osman S.M.; Alasmary F.A.; Almutairi T.M.; Abdullah D.S.; Gratteri P.; Supuran C.T. (2021). Inhibition of α-, β- and γ-carbonic anhydrases from the pathogenic bacterium Vibrio cholerae with aromatic sulphonamides and clinically licenced drugs–a joint docking/molecular dynamics study. JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY, vol. 36, pp. 469-479, ISSN:1475-6366 DOI Accesso ONLINE all'editore

Eldeeb A.H.; Abo-Ashour M.F.; Angeli A.; Bonardi A.; Lasheen D.S.; Elrazaz E.Z.; Nocentini A.; Gratteri P.; Abdel-Aziz H.A.; Supuran C.T. (2021). Novel benzenesulfonamides aryl and arylsulfone conjugates adopting tail/dual tail approaches: Synthesis, carbonic anhydrase inhibitory activity and molecular modeling studies. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, vol. 221, pp. 113486-113509, ISSN:0223-5234 DOI Accesso ONLINE all'editore

Elbadawi M.M.; Eldehna W.M.; Nocentini A.; Abo-Ashour M.F.; Elkaeed E.B.; Abdelgawad M.A.; Alharbi K.S.; Abdel-Aziz H.A.; Supuran C.T.; Gratteri P.; Al-Sanea M.M. (2021). Identification of N-phenyl-2-(phenylsulfonyl)acetamides/propanamides as new SLC-0111 analogues: Synthesis and evaluation of the carbonic anhydrase inhibitory activities. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, vol. 218, pp. 113360-113371, ISSN:0223-5234 DOI Accesso ONLINE all'editore

Alkhaldi A.A.M.; Al-Sanea M.M.; Nocentini A.; Eldehna W.M.; Elsayed Z.M.; Bonardi A.; Abo-Ashour M.F.; El-Damasy A.K.; Abdel-Maksoud M.S.; Al-Warhi T.; Gratteri P.; Abdel-Aziz H.A.; Supuran C.T.; El-Haggar R. (2020). 3-Methylthiazolo[3,2-a]benzimidazole-benzenesulfonamide conjugates as novel carbonic anhydrase inhibitors endowed with anticancer activity: Design, synthesis, biological and molecular modeling studies. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, vol. 207, pp. 0-0, ISSN:0223-5234 DOI

Picci G.; Bazzicalupi C.; Coles S.J.; Gratteri P.; Isaia F.; Lippolis V.; Montis R.; Murgia S.; Nocentini A.; Orton J.B.; Caltagirone C. (2020). Halogenated isophthalamides and dipicolineamides: The role of the halogen substituents in the anion binding properties. DALTON TRANSACTIONS, vol. 49, pp. 9231-9238, ISSN:1477-9226 DOI

Guglielmi P.; Rotondi G.; Secci D.; Angeli A.; Chimenti P.; Nocentini A.; Bonardi A.; Gratteri P.; Carradori S.; Supuran C.T. (2020). Novel insights on saccharin- and acesulfame-based carbonic anhydrase inhibitors: design, synthesis, modelling investigations and biological activity evaluation. JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY, vol. 35, pp. 1891-1905, ISSN:1475-6366 DOI

Bonardi A.; Nocentini A.; Cadoni R.; Del Prete S.; Dumy P.; Capasso C.; Gratteri P.; Supuran C.T.; Winum J.-Y. (2020). Benzoxaboroles: New Potent Inhibitors of the Carbonic Anhydrases of the Pathogenic Bacterium Vibrio cholerae. ACS MEDICINAL CHEMISTRY LETTERS, vol. 11, pp. 2277-2284, ISSN:1948-5875 DOI Accesso ONLINE all'editore

Clima L.; Craciun B.F.; Angeli A.; Petreni A.; Bonardi A.; Nocentini A.; Carta F.; Gratteri P.; Pinteala M.; Supuran C.T. (2020). Synthesis, Computational Studies and Assessment of in Vitro Activity of Squalene Derivatives as Carbonic Anhydrase Inhibitors. CHEMMEDCHEM, vol. 15, pp. 2052-2057, ISSN:1860-7179 DOI

La Regina G.; Puxeddu M.; Nalli M.; Vullo D.; Gratteri P.; Supuran C.T.; Nocentini A.; Silvestri R. (2020). Discovery of New 1,1′-Biphenyl-4-sulfonamides as Selective Subnanomolar Human Carbonic Anhydrase II Inhibitors. ACS MEDICINAL CHEMISTRY LETTERS, vol. 11, pp. 633-637, ISSN:1948-5875 DOI

Papi, Francesco; Bazzicalupi, Carla; Ferraroni, Marta; Ciolli, Giulia; Lombardi, Paolo; Khan, Asma Yasmeen; Kumar, Gopinatha Suresh; Gratteri, Paola (2020). Pyridine Derivative of the Natural Alkaloid Berberine as Human Telomeric G4-DNA Binder: A Solution and Solid-State Study. ACS MEDICINAL CHEMISTRY LETTERS, vol. 11, pp. 645-650, ISSN:1948-5875 DOI

Hargunani P.; Tadge N.; Ceruso M.; Leitans J.; Kazaks A.; Tars K.; Gratteri P.; Supuran C.T.; Nocentini A.; Toraskar M.P. (2020). Aryl-4,5-dihydro-1H-pyrazole-1-carboxamide derivatives bearing a sulfonamide moiety show single-digit nanomolar-to-subnanomolar inhibition constants against the tumor-associated human carbonic anhydrases IX and XII. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, vol. 21, pp. 1-11, ISSN:1661-6596 DOI

Bonardi A.; Nocentini A.; Bua S.; Combs J.; Lomelino C.; Andring J.; Lucarini L.; Sgambellone S.; Masini E.; McKenna R.; Gratteri P.; Supuran C.T. (2020). Sulfonamide Inhibitors of Human Carbonic Anhydrases Designed through a Three-Tails Approach: Improving Ligand/Isoform Matching and Selectivity of Action. JOURNAL OF MEDICINAL CHEMISTRY, vol. 63, pp. 7422-7444, ISSN:0022-2623 DOI

Said M.A.; Eldehna W.M.; Nocentini A.; Bonardi A.; Fahim S.H.; Bua S.; Soliman D.H.; Abdel-Aziz H.A.; Gratteri P.; Abou-Seri S.M.; Supuran C.T. (2020). Synthesis, biological and molecular dynamics investigations with a series of triazolopyrimidine/triazole-based benzenesulfonamides as novel carbonic anhydrase inhibitors. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, vol. 185, pp. 1-13, ISSN:0223-5234 DOI

Said M.A.; Eldehna W.M.; Nocentini A.; Fahim S.H.; Bonardi A.; Elgazar A.A.; Krystof V.; Soliman D.H.; Abdel-Aziz H.A.; Gratteri P.; Abou-Seri S.M.; Supuran C.T. (2020). Sulfonamide-based ring-fused analogues for CAN508 as novel carbonic anhydrase inhibitors endowed with antitumor activity: Design, synthesis, and in vitro biological evaluation. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, vol. 189, pp. 1-14, ISSN:0223-5234 DOI Accesso ONLINE all'editore

Pustenko A.; Nocentini A.; Gratteri P.; Bonardi A.; Vozny I.; Zalubovskis R.; Supuran C.T. (2020). The antibiotic furagin and its derivatives are isoform-selective human carbonic anhydrase inhibitors. JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY, vol. 35, pp. 1011-1020, ISSN:1475-6366 DOI

Savastano M.; Fiaschi M.; Ferraro G.; Gratteri P.; Mariani P.; Bianchi A.; Bazzicalupi C. (2020). Sensing Zn2+ in aqueous solution with a fluorescent scorpiand macrocyclic ligand decorated with an anthracene bearing tail. MOLECULES, vol. 25, pp. 1-15, ISSN:1420-3049 DOI

Nocentini A.; Alterio V.; Bua S.; Micheli L.; Esposito D.; Buonanno M.; Bartolucci G.; Osman S.M.; Alothman Z.A.; Cirilli R.; Pierini M.; Monti S.M.; Di Cesare Mannelli L.; Gratteri P.; Ghelardini C.; De Simone G.; Supuran C.T. (2020). Phenyl(thio)phosphon(amid)ate Benzenesulfonamides as Potent and Selective Inhibitors of Human Carbonic Anhydrases II and VII Counteract Allodynia in a Mouse Model of Oxaliplatin-Induced Neuropathy. JOURNAL OF MEDICINAL CHEMISTRY, vol. 63, pp. 5185-5200, ISSN:0022-2623 DOI

Bua S.; Lucarini L.; Micheli L.; Menicatti M.; Bartolucci G.; Selleri S.; Di Cesare Mannelli L.; Ghelardini C.; Masini E.; Carta F.; Gratteri P.; Nocentini A.; Supuran C.T. (2020). Bioisosteric Development of Multitarget Nonsteroidal Anti-Inflammatory Drug-Carbonic Anhydrases Inhibitor Hybrids for the Management of Rheumatoid Arthritis. JOURNAL OF MEDICINAL CHEMISTRY, vol. 63, pp. 2325-2342, ISSN:0022-2623 DOI Accesso ONLINE all'editore

Nguyen, Giang T H; Nocentini, Alessio; Angeli, Andrea; Gratteri, Paola; Supuran, Claudiu T; Donald, William A (2020). Perfluoroalkyl Substances of Significant Environmental Concern Can Strongly Inhibit Human Carbonic Anhydrase Isozymes. ANALYTICAL CHEMISTRY, vol. 92, pp. 4614-4622, ISSN:0003-2700 DOI

Ceni C.; Catarzi D.; Varano F.; Ben D.D.; Marucci G.; Buccioni M.; Volpini R.; Angeli A.; Nocentini A.; Gratteri P.; Supuran C.T.; Colotta V. (2020). Discovery of first-in-class multi-target adenosine A2A receptor antagonists-carbonic anhydrase IX and XII inhibitors. 8-Amino-6-aryl-2-phenyl-1,2,4-triazolo [4,3-a]pyrazin-3-one derivatives as new potential antitumor agents. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, vol. 201, pp. 0-16, ISSN:0223-5234 DOI Accesso ONLINE all'editore

van Rixel V.H.S.; Busemann A.; Wissingh M.F.; Hopkins S.L.; Siewert B.; van de Griend C.; Siegler M.A.; Marzo T.; Papi F.; Ferraroni M.; Gratteri P.; Bazzicalupi C.; Messori L.; Bonnet S. (2019). Induction of a Four-Way Junction Structure in the DNA Palindromic Hexanucleotide 5'-d(CGTACG)-3' by a Mononuclear Platinum Complex. ANGEWANDTE CHEMIE, vol. 58, pp. 9378-9382, ISSN:1521-3773 DOI

C. Sestini, S. Orlandini, S. Furlanetto, E. Ottomani, S. Selleri, L. Marzullo, M. Del Bubba, P. Gratteri (2019). Development of a new home-care detergent: experimental design in the optimization of performances and study on the safety of use through physico-chemical and toxicological data. In: XXVIII Congress of the Analytical Chemistry Division, Bari, 22-26 Settembre 2019, Società Chimica Italiana, pp. 1-2, ISBN:9788894952100

Dina Manetti*† , Alexandra Garifulina‡, Gian Luca Bartolucci , Carla Bazzicalupi§ , Cristina Bellucci†, Niccolò Chiaramonte†, Silvia Dei†, Lorenzo Di Cesare Mannelli∥, Carla Ghelardini∥, Paola Gratteri⊥ , Ekaterina Spirova‡, Irina Shelukhina‡, Elisabetta Teodori†, Katia Varani#, Victor Tsetlin‡, Maria Novella Romanelli† (2019). New Rigid Nicotine Analogues, Carrying a Norbornane Moiety, Are Potent Agonists of α7 and α3∗ Nicotinic Receptors. JOURNAL OF MEDICINAL CHEMISTRY, vol. 62, pp. 1887-1901, ISSN:0022-2623 DOI Accesso ONLINE all'editore

P. Gratteri, S. Orlandini (2019). Analisi statistica dei dati, convalida dei metodi analitici e introduzione alle carte di controllo. In: Antonio Carrieri. Manuale di Analisi Quantitativa dei Medicinali, pp. 441-538, Napoli: EdiSES, ISBN:978-88-3319-044-0.

Kalinin, Stanislav; Nocentini, Alessio; Kovalenko, Alexander; Sharoyko, Vladimir; Bonardi, Alessandro; Angeli, Andrea; Gratteri, Paola; Tennikova, Tatiana B.; Supuran, Claudiu T.; Krasavin, Mikhail (2019). From random to rational: A discovery approach to selective subnanomolar inhibitors of human carbonic anhydrase IV based on the Castagnoli-Cushman multicomponent reaction. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, vol. 182, pp. 111642-111660, ISSN:1768-3254 DOI

Savastano M.; Bazzicalupi C.; Ferraro G.; Fratini E.; Gratteri P.; Bianchi A. (2019). Tales of the unexpected: The case of zirconium(IV) complexes with desferrioxamine. MOLECULES, vol. 24, pp. 2098-2105, ISSN:1420-3049 DOI Accesso ONLINE all'editore

Savastano M.; Garcia-Gallarin C.; Giorgi C.; Gratteri P.; de la Torre M.D.L.; Bazzicalupi C.; Bianchi A.; Melguizo M. (2019). Solid state and solution study on the formation of inorganic anion complexes with a series of tetrazine-based ligands. MOLECULES, vol. 24, pp. 1-17, ISSN:1420-3049 DOI Accesso ONLINE all'editore

Alessandro Bonardi, Paola Gratteri, Alessio Nocentini (2019). Chpater 19 Carbonic Anhydrases from Pathogens: Fungal Carbonic Anhydrases And Their Inhibitors as Potential Antifungal Agents.. In: C.T. Supuran, A. Nocentini. Carbonic Anhydrases, pp. 419-448 Elsevier, ISBN:978-0-12-816476-1. DOI Accesso ONLINE all'editore

Angeli, Andrea; Tanini, Damiano; Nocentini, Alessio; Capperucci, Antonella; Ferraroni, Marta; Gratteri, Paola; Supuran, Claudiu T.* (2019). Selenols: a new class of carbonic anhydrase inhibitors. CHEMICAL COMMUNICATIONS, vol. 55, pp. 648-651, ISSN:1359-7345 DOI Accesso ONLINE all'editore

Bonardi, Alessandro; Vermelho, Alane Beatriz; Da Silva Cardoso, Veronica; De Souza Pereira, Mirian Claudia; Da Silva Lara, Leonardo; Selleri, Silvia; Gratteri, Paola; Supuran, Claudiu T.; Nocentini, Alessio (2019). N-Nitrosulfonamides as Carbonic Anhydrase Inhibitors: A Promising Chemotype for Targeting Chagas Disease and Leishmaniasis. ACS MEDICINAL CHEMISTRY LETTERS, vol. 10, pp. 413-418, ISSN:1948-5875 DOI Accesso ONLINE all'editore

Abdel-Aziz, Alaa A.-M.; El-Azab, Adel S.; Ghiaty, Adel H.; Gratteri, Paola; Supuran, Claudiu T.; Nocentini, Alessio (2019). 4-Substituted benzenesulfonamides featuring cyclic imides moieties exhibit potent and isoform-selective carbonic anhydrase II/IX inhibition. BIOORGANIC CHEMISTRY, vol. 83, pp. 198-204, ISSN:0045-2068, Academic Press Inc.: 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA DOI Accesso ONLINE all'editore

Eldehna, Wagdy M.*; Abo-Ashour, Mahmoud F.; Nocentini, Alessio; El-Haggar, Radwan S.; Bua, Silvia; Bonardi, Alessandro; Al-Rashood, Sara T.; Hassan, Ghada S.; Gratteri, Paola; Abdel-Aziz, Hatem A.; Supuran, Claudiu T. (2019). Enhancement of the tail hydrophobic interactions within the carbonic anhydrase IX active site via structural extension: Design and synthesis of novel N-substituted isatins-SLC-0111 hybrids as carbonic anhydrase inhibitors and antitumor agents. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, vol. 162, pp. 147-160, ISSN:0223-5234 DOI Accesso ONLINE all'editore

Nocentini, Alessio; Gratteri, Paola*; Supuran, Claudiu T. (2019). Phosphorus versus Sulfur: Discovery of Benzenephosphonamidates as Versatile Sulfonamide-Mimic Chemotypes Acting as Carbonic Anhydrase Inhibitors. CHEMISTRY-A EUROPEAN JOURNAL, vol. 25, pp. 1188-1192, ISSN:0947-6539 DOI Accesso ONLINE all'editore

Nocentini, Alessio; Lucidi, Alessia; Perut, Francesca; Massa, Annamaria; Tomaselli, Daniela; Gratteri, Paola; Baldini, Nicola; Rotili, Dante; Mai, Antonello; Supuran, Claudiu T.* (2019). α,γ-Diketocarboxylic Acids and Their Esters Act as Carbonic Anhydrase IX and XII Selective Inhibitors. ACS MEDICINAL CHEMISTRY LETTERS, vol. 10, pp. 661-665, ISSN:1948-5875 DOI Accesso ONLINE all'editore

Eldehna W.M.; Abdelrahman M.A.; Nocentini A.; Bua S.; Al-Rashood S.T.; Hassan G.S.; Bonardi A.; Almehizia A.A.; Alkahtani H.M.; Alharbi A.; Gratteri P.; Supuran C.T. (2019). Synthesis, biological evaluation and in silico studies with 4-benzylidene-2-phenyl-5(4H)-imidazolone-based benzenesulfonamides as novel selective carbonic anhydrase IX inhibitors endowed with anticancer activity. BIOORGANIC CHEMISTRY, vol. 90, pp. 103102-103111, ISSN:0045-2068 DOI Accesso ONLINE all'editore

Nocentini A.; Osman S.M.; Almeida I.A.; Cardoso V.; Alasmary F.A.S.; AlOthman Z.; Vermelho A.B.; Gratteri P.; Supuran C.T. (2019). Appraisal of anti-protozoan activity of nitroaromatic benzenesulfonamides inhibiting carbonic anhydrases from Trypanosoma cruzi and Leishmania donovani. JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY, vol. 34 (1), pp. 1164-1171, ISSN:1475-6366, TAYLOR & FRANCIS LTD: DOI Accesso ONLINE all'editore

Pasha A.; Vignoli M.; Subbiani A.; Nocentini A.; Selleri S.; Gratteri P.; Dabraio A.; Casini T.; Filippi L.; Fotzi I.; Favre C.; Calvani M. (2019). β3-adrenoreceptor activity limits apigenin efficacy in ewing sarcoma cells: A dual approach to prevent cell survival. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, vol. 20, pp. 2149-2162, ISSN:1661-6596 DOI Accesso ONLINE all'editore

Snezana Miljanic, Marina Ratkaj, Paola Gratteri, Carla Bazzicalupi (2019). Binding of berberine and sanguinarine with G-quadruplex and duplex DNA revealed by surface-enhanced Raman spectroscopy. In: XX euroanalysis, Istanbul, 1-5 sett 2019, Istanbul University, pp. 323-323.

Vats L.; Kumar R.; Bua S.; Nocentini A.; Gratteri P.; Supuran C.T.; Sharma P.K. (2019). Continued exploration and tail approach synthesis of benzenesulfonamides containing triazole and dual triazole moieties as carbonic anhydrase I, II, IV and IX inhibitors. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, vol. 183, pp. 1-10, ISSN:0223-5234 DOI

Abo-Ashour M.F.; Eldehna W.M.; Nocentini A.; Bonardi A.; Bua S.; Ibrahim H.S.; Elaasser M.M.; Krystof V.; Jorda R.; Gratteri P.; Abou-Seri S.M.; Supuran C.T. (2019). 3-Hydrazinoisatin-based benzenesulfonamides as novel carbonic anhydrase inhibitors endowed with anticancer activity: Synthesis, in vitro biological evaluation and in silico insights. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, vol. 184, pp. 1-11, ISSN:0223-5234 DOI

Abdelrahman M.A.; Eldehna W.M.; Nocentini A.; Bua S.; Al-Rashood S.T.; Hassan G.S.; Bonardi A.; Almehizia A.A.; Alkahtani H.M.; Alharbi A.; Gratteri P.; Supuran C.T. (2019). Novel diamide-based benzenesulfonamides as selective carbonic anhydrase ix inhibitors endowed with antitumor activity: Synthesis, biological evaluation and in silico insights. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, vol. 20, pp. 2484-2499, ISSN:1661-6596 DOI Accesso ONLINE all'editore

Angeli A.; Ferraroni M.; Nocentini A.; Selleri S.; Gratteri P.; Supuran C.T.; Carta F. (2019). Polypharmacology of epacadostat: A potent and selective inhibitor of the tumor associated carbonic anhydrases IX and XII. CHEMICAL COMMUNICATIONS, vol. 55, pp. 5720-5723, ISSN:1359-7345 DOI Accesso ONLINE all'editore

Francesco Papi, Adriana Kenđel, Marina Ratkaj, Ivo Piantanida, Paola Gratteri, Carla Bazzicalupi, Snežana Miljanić (2019). Effect of structure levels on surface-enhanced Raman scattering of human telomeric G-quadruplexes in diluted and crowded media. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, vol. 411, pp. 5197-5207, ISSN:1618-2642 DOI Accesso ONLINE all'editore

Ibrahim, Hany S.*; Allam, Heba Abdelrasheed; Mahmoud, Walaa R.; Bonardi, Alessandro; Nocentini, Alessio; Gratteri, Paola; Ibrahim, Eslam S.; Abdel-Aziz, Hatem A.; Supuran, Claudiu T. (2018). Dual-tail arylsulfone-based benzenesulfonamides differently match the hydrophobic and hydrophilic halves of human carbonic anhydrases active sites: Selective inhibitors for the tumor-associated hCA IX isoform. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, vol. 152, pp. 1-9, ISSN:0223-5234 DOI Accesso ONLINE all'editore

Silvia Bua; Marta Menicatti; Paola Gratteri; Alessio Nocentini; Claudiu T. Supuran; Gian Luca Bartolucci (2018). STABILITY STUDY IN PLASMA OF NOVEL ESTER-LINKED NSAID - CARBONIC ANHYDRASE INHIBITOR HYBRIDS. In: XXII International Mass Spectrometry Conference, Florence (Italy), August 26-31, 2018, 22nd IMSC SCIENTIFIC COMMITTEE, pp. 841-842, ISBN:9788890738852

Mahmood, Shams-ul; Saeed, Aamer*; Bua, Sivia; Nocentini, Alessio; Gratteri, Paola; Supuran, Claudiu T. (2018). Synthesis, biological evaluation and computational studies of novel iminothiazolidinone benzenesulfonamides as potent carbonic anhydrase II and IX inhibitors. BIOORGANIC CHEMISTRY, vol. 77, pp. 381-386, ISSN:0045-2068 DOI Accesso ONLINE all'editore

Guarra, Federica; Marzo, Tiziano; Ferraroni, Marta; Papi, Francesco; Bazzicalupi, Carla*; Gratteri, Paola; Pescitelli, Gennaro; Messori, Luigi; Biver, Tarita; Gabbiani, Chiara (2018). Interaction of a gold(i) dicarbene anticancer drug with human telomeric DNA G-quadruplex: solution and computationally aided X-ray diffraction analysis. DALTON TRANSACTIONS, vol. 47, pp. 16132-16138, ISSN:1477-9226 DOI Accesso ONLINE all'editore

Nocentini, Alessio; Bonardi, Alessandro; Gratteri, Paola; Cerra, Bruno; Gioiello, Antimo*; Supuran, Claudiu T. (2018). Steroids interfere with human carbonic anhydrase activity by using alternative binding mechanisms. JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY, vol. 33, pp. 1453-1459, ISSN:1475-6366 DOI Accesso ONLINE all'editore

Diuzheva, Alina; Carradori, Simone; Andruch, Vasil; Locatelli, Marcello; Luca, Elisa De; Tiecco, Matteo; Germani, Raimondo; Menghini, Luigi; Nocentini, Alessio; Gratteri, Paola; Campestre, Cristina (2018). Use of Innovative (Micro)Extraction Techniques to Characterise Harpagophytum procumbens Root and its Commercial Food Supplements. PHYTOCHEMICAL ANALYSIS, vol. 29, pp. 233-241, ISSN:0958-0344 DOI Accesso ONLINE all'editore

Nocentini, Alessio; Ceruso, Mariangela; Bua, Silvia; Lomelino, Carrie L.; Andring, Jacob T.; McKenna, Robert; Lanzi, Cecilia; Sgambellone, Silvia; Pecori, Riccardo; Matucci, Rosanna; Filippi, Luca; Gratteri, Paola; Carta, Fabrizio; Masini, Emanuela; Selleri, Silvia*; Supuran, Claudiu T. (2018). Discovery of β-Adrenergic Receptors Blocker-Carbonic Anhydrase Inhibitor Hybrids for Multitargeted Antiglaucoma Therapy. JOURNAL OF MEDICINAL CHEMISTRY, vol. 61, pp. 5380-5394, ISSN:0022-2623 DOI Accesso ONLINE all'editore

Niccolò Chiaramonte, Silvia Bua, Marta Ferraroni, Alessio Nocentini, Alessandro Bonardi, Gian Luca Bartolucci, Maria Concetta Durante, Laura Lucarini, Donata Chiapponi, Silvia Dei, Dina Manetti, Elisabetta Teodori, Paola Gratteri, Emanuela Masini, Claudiu T. Supuran, Maria Novella Romanelli (2018). 2-Benzylpiperazine: a new scaffold for potent human Carbonic Anhydrase inhibitors. Synthesis, enzyme inhibition, enantioselectivity, computational and crystallographic studies and in vivo activity for a new class of intraocular pressure lowering agents.. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, vol. 151, pp. 363-375, ISSN:1768-3254 DOI

Nocentini, Alessio; Carta, Fabrizio; Tanc, Muhammet; Selleri, Silvia; Supuran, Claudiu T.; Bazzicalupi, Carla*; Gratteri, Paola (2018). Deciphering the Mechanism of Human Carbonic Anhydrases Inhibition with Sulfocoumarins: Computational and Experimental Studies. CHEMISTRY-A EUROPEAN JOURNAL, vol. 24, pp. 7840-7844, ISSN:0947-6539 DOI Accesso ONLINE all'editore

Nocentini, Alessio; Bua, Silvia; Del Prete, Sonia; Heravi, Yeganeh Entezari; Saboury, Ali A; Karioti, Anastasia; Bilia, Anna Rita; Capasso, Clemente; Gratteri, Paola; Supuran, Claudiu T (2018). Natural Polyphenols Selectively Inhibit β-Carbonic Anhydrase from the Dandruff-Producing Fungus Malassezia globosa: Activity and Modeling Studies. CHEMMEDCHEM, vol. 13, pp. 816-823, ISSN:1860-7179 DOI

Nocentini A, Trallori E, Singh S, Lomelino CL, Bartolucci G, Di Cesare Mannelli L, Ghelardini C, McKenna R, Gratteri P, Supuran CT (2018). 4-Hydroxy-3-nitro-5-ureido-benzenesulfonamides selectively target the tumor-associated carbonic anhydrase isoforms IX and XII showing hypoxia-enhanced anti-proliferative profiles.. JOURNAL OF MEDICINAL CHEMISTRY, vol. 61, pp. 10860-10874, ISSN:0022-2623 DOI Accesso ONLINE all'editore

Vullo, Daniela; Del Prete, Sonia; Nocentini, Alessio; Osman, Sameh M.; Alothman, Zeid; Capasso, Clemente; Bozdag, Murat; Carta, Fabrizio; Gratteri, Paola; Supuran, Claudiu T. (2017). Dithiocarbamates effectively inhibit the β-carbonic anhydrase from the dandruff-producing fungus Malassezia globosa. BIOORGANIC & MEDICINAL CHEMISTRY, vol. 25, pp. 1260-1265, ISSN:0968-0896 DOI Accesso ONLINE all'editore

Wirmer-Bartoschek, Julia; Bendel, Lars Erik; Jonker, Hendrik R. A.; Grün, J. Tassilo; Papi, Francesco; Bazzicalupi, Carla; Messori, Luigi; Gratteri, Paola; Schwalbe, Harald (2017). Solution NMR Structure of a Ligand/Hybrid-2-G-Quadruplex Complex Reveals Rearrangements that Affect Ligand Binding. ANGEWANDTE CHEMIE. INTERNATIONAL EDITION, vol. 56, pp. 7102-7106, ISSN:1433-7851 DOI Accesso ONLINE all'editore

Savastano, Matteo; Bazzicalupi, Carla; Giorgi, Claudia; Gratteri, Paola; Bianchi, Antonio (2017). Cation, anion and ion-pair complexes with a G-3 poly(ethylene imine) dendrimer in aqueous solution. MOLECULES, vol. 22, pp. 816-816, ISSN:1420-3049 DOI Accesso ONLINE all'editore

Nocentini, Alessio; Vullo, Daniela; Del Prete, Sonia; Osman, Sameh M.; Alasmary, Fatmah A. S.; Alothman, Zeid; Capasso, Clemente; Carta, Fabrizio; Gratteri, Paola; Supuran, Claudiu T. (2017). Inhibition of the Î²-carbonic anhydrase from the dandruff-producing fungus Malassezia globosa with monothiocarbamates. JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY, vol. 32, pp. 1064-1070, ISSN:1475-6366 DOI Accesso ONLINE all'editore

Papi, F.; Ferraroni, M.; Rigo, R.; Da Ros, S.; Bazzicalupi, C.; Sissi, C.; Gratteri, P. (2017). Role of the Benzodioxole Group in the Interactions between the Natural Alkaloids Chelerythrine and Coptisine and the Human Telomeric G-Quadruplex DNA. A Multiapproach Investigation. JOURNAL OF NATURAL PRODUCTS, vol. 80, pp. 3128-3135, ISSN:0163-3864 DOI Accesso ONLINE all'editore

Eldehna, Wagdy M.; Abo-Ashour, Mahmoud F.; Nocentini, Alessio; Gratteri, Paola; Eissa, Ibrahim H.; Fares, Mohamed; Ismael, Omnia E.; Ghabbour, Hazem A.; Elaasser, Mahmoud M.; Abdel-Aziz, Hatem A.; Supuran, Claudiu T. (2017). Novel 4/3-((4-oxo-5-(2-oxoindolin-3-ylidene)thiazolidin-2-ylidene)amino) benzenesulfonamides: Synthesis, carbonic anhydrase inhibitory activity, anticancer activity and molecular modelling studies. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, vol. 139, pp. 250-262, ISSN:0223-5234 DOI Accesso ONLINE all'editore

Entezari Heravi, Yeganeh; Bua, Silvia; Nocentini, Alessio; Del Prete, Sonia; Saboury, Ali Akbar; Sereshti, Hassan; Capasso, Clemente; Gratteri, Paola; Supuran, Claudiu T (2017). Inhibition of Malassezia globosa carbonic anhydrase with phenols. BIOORGANIC & MEDICINAL CHEMISTRY, vol. 25, pp. 2577-2582, ISSN:0968-0896 DOI Accesso ONLINE all'editore

Angeli, Andrea; Abdel-Aziz, Alaa A. -. M.; Nocentini, Alessio; El-Azab, Adel S.; Gratteri, Paola; Supuran, Claudiu T. (2017). Synthesis and carbonic anhydrase inhibition of polycyclic imides incorporating N-benzenesulfonamide moieties. BIOORGANIC & MEDICINAL CHEMISTRY, vol. 25, pp. 5373-5379, ISSN:0968-0896 DOI Accesso ONLINE all'editore

Papi, Francesco; Bazzicalupi, Carla; Ferraroni, Marta; Massai, Lara; Bertrand, Benoit; Gratteri, Paola; Colangelo, Donato; Messori, Luigi (2017). [Au(9-methylcaffein-8-ylidene)2]+/DNA Tel23 System: Solution, Computational, and Biological Studies. CHEMISTRY-A EUROPEAN JOURNAL, vol. 23, pp. 13784-13791, ISSN:0947-6539 DOI Accesso ONLINE all'editore

Nocentini, Alessio; Cadoni, Roberta; Del Prete, Sonia; Capasso, Clemente; Dumy, Pascal; Gratteri, Paola; Supuran, Claudiu T.; Winum, Jean-Yves (2017). Benzoxaboroles as Efficient Inhibitors of the Î²-Carbonic Anhydrases from Pathogenic Fungi: Activity and Modeling Study. ACS MEDICINAL CHEMISTRY LETTERS, vol. 8, pp. 1194-1198, ISSN:1948-5875 DOI Accesso ONLINE all'editore

Fragai, Marco; Comito, Giuseppina; Di Cesare Mannelli, Lorenzo; Gualdani, Roberta; Calderone, Vito; Louka, Alexandra; Richichi, Barbara; Francesconi, Oscar; Angeli, Andrea; Nocentini, Alessio; Gratteri, Paola; Chiarugi, Paola; Ghelardini, Carla; Tadini-Buoninsegni, Francesco; Supuran, Claudiu T; Nativi, Cristina (2017). Lipoyl-Homotaurine Derivative (ADM_12) Reverts Oxaliplatin-Induced Neuropathy and Reduces Cancer Cells Malignancy by Inhibiting Carbonic Anhydrase IX (CAIX). JOURNAL OF MEDICINAL CHEMISTRY, vol. 60, pp. 9003-9011, ISSN:1520-4804 DOI

Eldehna, Wagdy M; Al-Ansary, Ghada H.; Bua, Silvia; Nocentini, Alessio; Gratteri, Paola; Altoukhy, Ayman; Ghabbour, Hazem; Ahmed, Hanaa Y.; Supuran, Claudiu T. (2017). Novel indolin-2-one-based sulfonamides as carbonic anhydrase inhibitors: Synthesis, in vitro biological evaluation against carbonic anhydrases isoforms I, II, IV and VII and molecular docking studies. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, vol. 127, pp. 521-530, ISSN:0223-5234 DOI Accesso ONLINE all'editore

Miljanić, Snežana; Ratkaj, Marina; Matković, Marija; Piantanida, Ivo; Gratteri, Paola; Bazzicalupi, Carla (2017). Assessment of human telomeric G-quadruplex structures using surface-enhanced Raman spectroscopy. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, vol. 409, pp. 2285-2295, ISSN:1618-2642 DOI Accesso ONLINE all'editore

Nocentini, Alessio; Bua, Silvia; Lomelino, Carrie L.; Mckenna, Robert; Menicatti, Marta; Bartolucci, Gianluca; Tenci, Barbara; Di Cesare Mannelli, Lorenzo; Ghelardini, Carla; Gratteri, Paola; Supuran, Claudiu T. (2017). Discovery of New Sulfonamide Carbonic Anhydrase IX Inhibitors Incorporating Nitrogenous Bases. ACS MEDICINAL CHEMISTRY LETTERS, vol. 8, pp. 1314-1319, ISSN:1948-5875 DOI Accesso ONLINE all'editore

Righeschi, Chiara; Bergonzi, Maria Camilla; Isacchi, Benedetta; Bazzicalupi, Carla; Gratteri, Paola; Bilia, Anna Rita (2016). Enhanced curcumin permeability by SLN formulation: The PAMPA approach. LEBENSMITTEL-WISSENSCHAFT + TECHNOLOGIE, vol. 66, pp. 475-483, ISSN:0023-6438 DOI Accesso ONLINE all'editore

Bazzicalupi, Carla; Ferraroni, Marta; Papi, Francesco; Massai, Lara; Bertrand, Benoît; Messori, Luigi; Gratteri, Paola; Casini, Angela (2016). Determinants for Tight and Selective Binding of a Medicinal Dicarbene Gold(I) Complex to a Telomeric DNA G-Quadruplex: a Joint ESI MS and XRD Investigation. ANGEWANDTE CHEMIE. INTERNATIONAL EDITION, vol. 55, pp. 4256-4259, ISSN:1433-7851 DOI

Nocentini, Alessio; Ferraroni, Marta; Carta, Fabrizio; Ceruso, Mariangela; Gratteri, Paola; Lanzi, Cecilia; Masini, Emanuela; Supuran, Claudiu T (2016). Benzenesulfonamides Incorporating Flexible Triazole Moieties Are Highly Effective Carbonic Anhydrase Inhibitors: Synthesis and Kinetic, Crystallographic, Computational, and Intraocular Pressure Lowering Investigations. JOURNAL OF MEDICINAL CHEMISTRY, vol. 59, pp. 10692-10704, ISSN:0022-2623 DOI Accesso ONLINE all'editore

Ferraroni, Marta; Bazzicalupi, Carla; Papi, Francesco; Fiorillo, Gaetano; Guamán-Ortiz, Luis Miguel; Nocentini, Alessio; Scovassi, Anna Ivana; Lombardi, Paolo; Gratteri, Paola (2016). Solution and Solid-State Analysis of Binding of 13-Substituted Berberine Analogues to Human Telomeric G-quadruplexes. CHEMISTRY - AN ASIAN JOURNAL, vol. 11, pp. 1107-1115, ISSN:1861-4728 DOI Accesso ONLINE all'editore

Marta, Ferraroni; Carla, Bazzicalupi; Francesco, Papi; Paola, Gratteri (2016). Double helices forming unusual binding motifs: the case of the natural alkaloids coptisine and chelerythrine. In: Ferraroni, M., Bazzicalupi, C., Papi, Gratteri. Double helices forming unusual binding motifs: the case of the natural alkaloids coptisine and chelerythrine, pp. 81-102, New York: Nova science publisher, ISBN:9781634855129.

Del Bello, Fabio; Bargelli, Valentina; Cifani, Carlo; Gratteri, Paola; Bazzicalupi, Carla; Diamanti, Eleonora; Giannella, Mario; Mammoli, Valerio; Matucci, Rosanna; Micioni Di Bonaventura, Maria Vittoria; Piergentili, Alessandro; Quaglia, Wilma; Pigini, Maria (2015). Antagonism/agonism modulation to build novel antihypertensives selectively triggering I<inf>1</inf>-imidazoline receptor activation. ACS MEDICINAL CHEMISTRY LETTERS, vol. 6, pp. 496-501, ISSN:1948-5875 DOI Accesso ONLINE all'editore

P. Gratteri; L. Massai; E. Michelucci; R. Rigo; L. Messori; M. A. Cinellu; C. Musetti; C. Sissi; C. Bazzicalupi (2015). Interactions of selected gold(III) complexes with DNA G quadruplexes. DALTON TRANSACTIONS, vol. 44, pp. 3633-3639, ISSN:1477-9234 DOI

Carla Bazzicalupi; Antonio Bianchi; Claudia Giorgi; Paola Gratteri; Palma Mariani; Barbara Valtancoli (2013). Metal ion binding by a G-2 poly(ethylene imine) dendrimer. Ion-directed self-assembling of hierarchical mono- and two-dimensional nanostructured materials. INORGANIC CHEMISTRY, vol. 52, pp. 2125-2137, ISSN:0020-1669 DOI

Carla Bazzicalupi; Marta Ferraroni; Anna Rita Bilia; Francesca Scheggi; Paola Gratteri (2013). The crystal structure of human telomeric DNA complexed with berberine: an interesting case of stacked ligand to G-tetrad ratio higher than 1:1. NUCLEIC ACIDS RESEARCH, vol. 41, pp. 632-638, ISSN:0305-1048 DOI

Carla Bazzicalupi; Antonio Bianchi; Claudia Giorgi; Paola Gratteri; Palma Mariani; Barbara Valtancoli (2013). Anion and ion-pair binding by a G-2 poly(ethylene imine) dendrimer. DALTON TRANSACTIONS, vol. 42, pp. 12130-12138, ISSN:1477-9234 DOI

C. Bazzicalupi; S. Biagini; A. Bianchi; E. Faggi; C. Giorgi; P. Gratteri; F. Pina; B. Valtancoli (2012). Thermodynamic and fluorescent emission properties of the Zn(II), Cd(II) and Pb(II) complexes with a fluorescent chelator bearing phenanthroline and naphtalene subunits. INORGANICA CHIMICA ACTA, vol. 381, pp. 229-235, ISSN:0020-1693 DOI

Bazzicalupi, Carla; Bencini, Andrea; Puccioni, Stefano; Valtancoli, Barbara; Gratteri, Paola; Garau, Alessandra; Lippolis, Vito (2012). Selective binding and fluorescence sensing of diphosphate in H2O via Zn2+-induced allosteric regulation of the receptor structure. CHEMICAL COMMUNICATIONS, vol. 48, pp. 139-141, ISSN:1359-7345 DOI

M. Chioccioli; S. Marsili; C. Bonaccini; P. Procacci; P. Gratteri (2012). Insights into the Conformational Switching Mechanism of the Human Vascular Endothelial Growth Factor Receptor Type 2 Kinase Domain. JOURNAL OF CHEMICAL INFORMATION AND MODELING, vol. 52, pp. 483-491, ISSN:1549-960X DOI

R. Montis; M. C. Aragoni; M. Arca; C. Bazzicalupi; A.J. Blake; C. Caltagirone; G. De Filippo;A. Garau; P. Gratteri; F. Isaia; V. Lippolis; A. Pintus (2012). Bis(2-pyridylmethyl)alkyl(thioalkyl)diamines as promising scaffolds for the construction of fluorescent and redox chemosensors for transition and post-transition metal ions. INORGANICA CHIMICA ACTA, vol. 381, pp. 170-180, ISSN:0020-1693 DOI

I. Bessi; C. Bazzicalupi; C. Richter; H.R.A. Jonker; K. Saxena; C. Sissi; M. Chioccioli; S. Bianco; A.R. Bilia; H. Schwalbe; P. Gratteri (2012). Spectroscopic, molecular modeling and NMR-spectroscopic investigation of the binding mode of the natural alkaloids berberine and sanguinarine to human telomeric G-quadruplex DNA. ACS CHEMICAL BIOLOGY, vol. 7, pp. 1109-1119, ISSN:1554-8929 DOI

F.Sorrentino; A.Karioti; P.Gratteri;M.P. Rigobello; G.Scutari; L. Messori; A.Bindoli; M.Chioccioli; C.Gabbiani; M.C. Bergonzi; A. R. Bilia (2011). Hypericins and Thioredoxin Reductase: Biochemical and Docking Studies disclose the Molecular Basis for Effective Inhibition by Naphthodianthrones. BIOORGANIC & MEDICINAL CHEMISTRY, vol. 39, pp. 631-641, ISSN:1464-3391 DOI Accesso ONLINE all'editore

F. M. Cordero; P. Bonanno; M. Chioccioli; P. Gratteri; I. Robina; A. J. Moreno Vargas; A. Brandi (2011). Diversity Oriented Syntheses of 7-Substituted Lentiginosines. TETRAHEDRON, vol. 67, pp. 9555-9564, ISSN:0040-4020 DOI

M.Ferraroni; C. Bazzicalupi; A.R. Bilia; P. Gratteri (2011). X-ray diffraction analyses of the natural isoquinoline alkaloids Berberine and Sanguinarine in complex with double helix DNA d(CGTACG). CHEMICAL COMMUNICATIONS, vol. 47, pp. 4917-4919, ISSN:1359-7345 DOI Accesso ONLINE all'editore

C. Bazzicalupi; M. Chioccioli; C. Sissi; E. Porcù; C. Bonaccini; C. Pivetta; A. Bencini; C. Giorgi; B. Valtancoli; F. Melani; P. Gratteri (2010). Modeling and Biological Investigations of an Unusual Behavior of Novel Synthesized Acridine- Based Polyamine Ligands in the Binding of Double Helix and G-Quadruplex DNA. CHEMMEDCHEM, vol. 5, pp. 1995-2005, ISSN:1860-7179 DOI Accesso ONLINE all'editore

C. Bazzicalupi; S. Biagini; A. Bianchi; E. Faggi; P. Gratteri; P. Mariani; F. Pina; B. Valtancoli (2010). Binding of H+ and Zn(II) ions with a new fluorescent macrocyclic phenanthrolinophane.. DALTON TRANSACTIONS, vol. 39, pp. 10128-10136, ISSN:1477-9226 DOI

C.Bonaccini; M.Chioccioli; C.Parmeggiani; F.Cardona; D.Lo Re; G.Soldaini; P.Vogel; C.Bello; A.Goti; P.Gratteri (2010). Synthesis, biological evaluation and docking studies of casuarine analogs: effects of structural modifications at ring B on inhibitory activity towards glucoamylase. EUROPEAN JOURNAL OF ORGANIC CHEMISTRY, vol. 29, pp. 5574-5585, ISSN:1434-193X DOI Accesso ONLINE all'editore

C. Bazzicalupi; S. Biagini; A. Bianchi; T. Biver; A. Boggioni; C. Giorgi; P. Gratteri; M. Malavolti; F. Secco; B. Valtancoli; M. Venturini (2010). DNA interaction with Ru(II) and Ru(II)/Cu(II) complexes containing azamacrocycle and dppz residues. A thermodynamic, kinetic and theoretical study.. DALTON TRANSACTIONS, vol. 39, pp. 9838-9850, ISSN:1477-9226 DOI

C.Bazzicalupi; A.Bencini; S.Biagini; E.Faggi; G.Farruggia; G.Andreani; P.Gratteri; L.Prodi; A.Spepi; B.Valtancoli (2010). A highly pH-sensitive Zn(II) chemosensor. DALTON TRANSACTIONS, vol. 39, pp. 7080-7090, ISSN:1477-9226 DOI

F. CARDONA; C. PARMEGGIANI; E. FAGGI; C. BONACCINi; P. GRATTERI; L. SIM; T. GLOSTER; S. ROBERTS; G. DAVIES; D. ROSE; A. GOTI (2009). Total Syntheses of Casuarine and its 6-O-alpha-Glucoside: Complementary Inhibition towards Glycoside Hydrolases of Families GH31 and GH37. CHEMISTRY-A EUROPEAN JOURNAL, vol. 15, pp. 1627-1636, ISSN:0947-6539 DOI

C.Bonaccini; C.Guarino; M.Chioccioli; S.Selleri; P.Gratteri (2009). Homology modeling, docking and MM-GBSA rescoring of benzodiazepine receptor ligands: structural features regulating alpha1-versus alpha5- subtype selectivity. In: Frontiers in Medicinal Chemistry: emerging targets, novel candidates and innovative strategies, Barcelona, Spain, October 4-6, 2009, vol. 34, pp. 175-175.

A.Karioti; F.Sorrentino; P.Gratteri ; MP.Rigobello; G.Scutari; L.Messori; A.Bindoli; MC.Bergonzi; AR.Bilia (2009). Rapid and efficient purification of hypericin and pseudohypericin and inhibition of thioredoxin reductase. PLANTA MEDICA, vol. 75, pp. 885-885, ISSN:0032-0943 DOI

J.Sgrignani; C.Bonaccini; G.Grazioso; M.Chioccioli; A.Cavalli; P.Gratteri (2009). Insights into docking and scoring neuronal 42 nicotinic receptor agonists using Molecular Dynamics simulations and QM/MM calculations. JOURNAL OF COMPUTATIONAL CHEMISTRY, vol. 30, pp. 2443-2454, ISSN:0192-8651 DOI Accesso ONLINE all'editore

Daniela CATARZI, Vittoria COLOTTA, Flavia VARANO, Guido FILACCHIONI, Paola GRATTERI, Jacopo SGRIGNANI, Alessandro GALLI, Chiara Costagli (2008). Synthesis and biological evaluation of novel 9-heteroaryl substituted 7-chloro-4,5-dihydro-4-oxo-1,2,4-triazolo[1,5-a]quinoxaline-2-carboxylates (TQX) as AMPA receptor antagonists.. CHEMICAL & PHARMACEUTICAL BULLETIN, vol. 56, pp. 1085-1091, ISSN:0009-2363 DOI

M. SALVATI; F. M. CORDERO; F. PISANESCHI; F. MELANI; P. GRATTERI; N. CINI; A. BOTTONCETTI; A. BRANDI (2008). Synthesis, SAR and in Vitro Evaluation of New Cyclic Arg-Gly-Asp Pseudopentapeptides Containing a s-cis Peptide Bond as Integrin alpha-v-beta3 and alpha-v-beta5 Ligands.. BIOORGANIC & MEDICINAL CHEMISTRY, vol. 16, pp. 4262-4271, ISSN:0968-0896 DOI

C.Bazzicalupi;A.Bencini;C.Bonaccini; C.Giorgi; P.Gratteri; S.Moro; M.Palumbo; A.Simionato; J.Sgrignani; C.Sissi; B. Valtancoli (2008). Tuning the Activity of Zn(II) Complexes in DNA Cleavage: Clues for Design of New Efficient Metallo-Hydrolases. INORGANIC CHEMISTRY, vol. 47, pp. 5473-5484, ISSN:0020-1669 DOI

C. Bazzicalupi; A. Bencini; A. Bianchi; T. Biver; A. Boggioni; S. Bonacchi; A. Danesi; C. Giorgi; P. Gratteri; A. Marcal Ingraín; F. Secco; C. Sissi; B. Valtancoli; M. Venturini (2008). DNA binding by a new metallointercalator that contains a proflavine group bearing a hanging chelating unit.. CHEMISTRY-A EUROPEAN JOURNAL, vol. 14, pp. 184-196, ISSN:0947-6539 DOI Accesso ONLINE all'editore

C. Parmeggiani; F. Cardona; C. Bonaccini; M. Chioccioli; P. Gratteri; A. Goti (2007). La casuarina ed il suo glucoside: sintesi e studio della loro interazione con glucoamilasi. In: Convegno Interregionale TUMA 2007, Assisi, 26-28 Settembre 2007, Università di Perugia, pp. 37-37.

M. Romanelli; P. Gratteri; L. Guandalini; E. Martini; C. Bonaccini; F. Gualtieri (2007). Central Nicotinic receptors: structure, function, ligands, and therapeutic potential. CHEMMEDCHEM, vol. 2, pp. 746-767, ISSN:1860-7179 DOI Accesso ONLINE all'editore

M.C. Alcaro; F. Nuti; G. Bonechi; F. Benedetti; A. Carotenuto; C. Bonaccini; P. Gratteri; A. Tramontano; F. Lolli; M. Chelli; E. Novellino; P. Rovero; A.M. Papini (2007). New Generation of Families of Antigenic Probes for Detection of Multiple Sclerosis Biomarkers.. BIOPOLYMERS, vol. 88, pp. 609-609, ISSN:0006-3525 Accesso ONLINE all'editore

M.C. Alcaro; A. Carotenuto; C. Bonaccini; B. Mulinacci; G. Bonechi; F. Lolli; M. Chelli; P. Gratteri; A. Tramontano; E. Novellino; A.M. Papini; P. Rovero (2007). Conformationally driven rational design of glycopeptides as synthetic probes for the detection of autoantibodies, biomarkers of multiple sclerosis. In: K. Rolka, P. Rekowski, J. Silberring. Peptides 2006, pp. 684-685, Geneva, Switzerland: Kenes International.

J. Sgrignani; C. Bonaccini; F. Melani; D. Catarzi; P. Gratteri (2006). Docking and 3D-QSAR analysis on i-GluR2 receptor. In: XXII Congresso Nazionale della Società Chimica Italiana., Firenze, 10-15 settembre 2006, d, pp. 188-188.

L.Guandalini; E.Martini; P.Gratteri; C.Ghelardini; K.Varani; M.Romanelli (2006). Design, synthesis and binding affinity of new nicotinic ligands. ARKIVOC, vol. viii, pp. 50-65, ISSN:1551-7004

V. COLOTTA; D. CATARZI; F. VARANO; O. LENZI; G. FILACCHIONI; C. COSTAGLI; A. GALLI; C. GHELARDINI; N. GALEOTTI; P.GRATTERI; J.SGRIGNANI; F. DEFLORIAN; S. MORO; (2006). Structural Investigation of the 7-Chloro-3-hydroxy-1H-quinazoline-2,4-dione Scaffold to Obtain AMPA and Kainate Receptor Selective Antagonists. Synthesis, Pharmacological and Molecular Modeling Studies. JOURNAL OF MEDICINAL CHEMISTRY, vol. 49, pp. 6015-6026, ISSN:0022-2623 DOI Accesso ONLINE all'editore

P. Gratteri; C. Bonaccini; F. Melani (2005). Searching for a reliable orientation of ligands in their binding site: Glide versus FIGO in the case study of PDE4 inhibitorsJ. Med. Chem., , 48(5), 1657-65. JOURNAL OF MEDICINAL CHEMISTRY, vol. 48, pp. 1657-1665, ISSN:0022-2623 DOI Accesso ONLINE all'editore

S. SELLERI; P. GRATTERI; C. COSTAGLI; C. BONACCINI; A. COSTANZO; F. MELANI; G. GUERRINI; G. CICIANI; B. COSTA; C. MARTINI; F. BRUNI; F. SPINETTI (2005). Insight into 2-phenylpyrazolo[1,5-a]pyrimidin-3-yl acetamides as Peripheral Benzodiazepine Receptor Ligands: synthesis, biological evaluation and 3D-QSAR investigation.. BIOORGANIC & MEDICINAL CHEMISTRY, vol. 13, pp. 4821-4834, ISSN:0968-0896 DOI Accesso ONLINE all'editore

S. SELLERI; F. BRUNI; C. COSTAGLI; A. COSTANZO; G. GUERRINI; G. CICIANI; P. GRATTERI; F. BESNARD; B. COSTA; C. MARTINI; G. DE SIENA; P. MALMBERG; M. MONTALI; J. FOHLIN (2005). A novel selective GABA-A alpha1 receptor agonist displaying sedative and anxiolytic-like properties in rodents.. JOURNAL OF MEDICINAL CHEMISTRY, vol. 48, pp. 6756-6760, ISSN:0022-2623 DOI Accesso ONLINE all'editore

P. GRATTERI; M. ROMANELLI; G. CRUCIANI; C. BONACCINI; F. MELANI (2004). GRIND-derived pharmacophore model for a series of α-tropanyl derivative ligands of the sigma-2 receptor. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, vol. 18, pp. 361-374, ISSN:0920-654X DOI Accesso ONLINE all'editore

S. SELLERI; F. BRUNI; C. COSTAGLI; A. COSTANZO; G. GUERRINI; G. CICIANI; P.GRATTERI; C.BONACCINI; P.MALMBERG AIELLO; F.BESNARD; S.RENARD; B. COSTA; C. MARTINI (2003). Synthesis and Benzodiazepine Receptor Affinity of Pyrazolo [1,5-a]pyrimidine Derivatives.3. New 6-(3-Thienyl) Series as a1 Selective Ligands. JOURNAL OF MEDICINAL CHEMISTRY, vol. 46, pp. 310-313, ISSN:0022-2623 DOI Accesso ONLINE all'editore

F. Melani; P. Mura; M. Adamo; F. Maestrelli; P. Gratteri; C. Bonaccini (2003). New docking CFF91 parameters specific for cyclodextrin inclusion complexes. CHEMICAL PHYSICS LETTERS, vol. 370, pp. 280-292, ISSN:0009-2614 DOI

F. Melani; P. Gratteri; M. Adamo; C. Bonaccini (2003). Field Interaction and Geometrical Overlap (FIGO): a new Simplex/experimental design-based computational procedure for superposing small ligand molecules. J. Med. Chem., 46(8), 1359-1371 (2003).. JOURNAL OF MEDICINAL CHEMISTRY, vol. 46, pp. 1359-1371, ISSN:0022-2623 DOI

C. Bonaccini; P. Gratteri; G. Cruciani (2002). GRID characterization of the phosphodiesterase 4 binding site. In: 33rd crystallographic corse “From Genes to Drugs via Crystallography, Erice (IT), May 23 June 2, 2002, pp. 47-47, ISBN:9780971882317

P. GRATTERI; C. BONACCINI; F. MELANI; M. ADAMO; V. DAL PIAZ; G. CRUCIANI (2002). GRID-DOCKING STUDY ON LIGANDS ACTING AS INHIBITORS OF THE HUMAN PHOSPHODIESTERASE 4. In: XVIIth International Symposium on Medicinal Chemistry, Barcelona, Spain, 1-5 September, 2002, vol. SUPPL A, pp. 139-139.

P. Mura ; P. Gratteri; M.T. Faucci (2002). COMPATIBILITY STUDIES OF MULTICOMPONENT TABLET FORMULATIONS. DSC AND EXPERIMENTAL MIXTURE DESIGN. JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY, vol. 68, pp. 541-551, ISSN:1388-6150 DOI

P. GRATTERI; M. ROMANELLI; C. BONACCINI (2002). GRID INDEPENDENT DESCRIPTORS (GRIND) IN THE STUDY OF THE S-RECEPTOR SUBTYPE SELECTIVITY.. In: XVIIth International Symposium on Medicinal Chemistry, Barcelona (Spain), 1-5 September, 2002, vol. SUPPL A, pp. 257-257.

P. GRATTERI; G. CRUCIANI; S. SCAPECCHI; M. ROMANELLI (2001). GRID INDEPENDENT DESCRIPTORS (GRIND) IN THE RATIONAL DESIGN OF MUSCARINIC ANTAGONISTS.. In: H. D. HÖLTJE AND W. SIPPL. RATIONAL APPROACHES TO DRUG DESIGN., pp. 241-243, Barcelona- Philadelphia: PROUS Science, ISBN:9788481241761.

F. MELANI; P. GRATTERI; M. ADAMO; C. BONACCINI (2001). FILO (Field Interaction Ligand Optimization): a simplex strategy for searching the optimal ligand interaction field in drug design.. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, vol. 15, pp. 57-66, ISSN:0920-654X Accesso ONLINE all'editore

P. Gratteri; G. Cruciani; S.Scapecchi; M.N. Romanelli (2001). Independent Descriptors (GRIND) in the rational design of muscarinic antagonists. In: 13th European Symposium on Quantitative Structure-Activity Relationships, Dusseldorf, August 27 - September 1, 2000, Prous Science, pp. 241-243, ISBN:9788481241761

Elisabetta Teodori; Silvia Dei; Arlette Garnier-Suillerot; Paola Gratteri; Fulvio Gualtieri; Dina Manetti; Maria Novella Romanelli; Serena Scapecchi (2000). Relazioni Struttura Attività nell'ambito di un potente Inibitore della MDR. In: XX Congresso Nazionale della Società Chimica Italiana, Rimini, 4-9 Giugno 2000, Società Chimica Italiana, pp. FR-OR014-FR-OR014.

E. Teodori; S. Dei; A. Garnier-Suillerot; P. Gratteri; F. Gualtieri; D. Manetti; M.N. Romanelli; S. Scapecchi (2000). Structure activity relationships in a series of potent MDR inhibitors. In: XVIth International Symposium on Medicinal Chemistry, Bologna, 18-22 Settembre 2000, Italian Chemical Society Division of Medicinal Chemistry, pp. 523-523.

P. GRATTERI; G. CRUCIANI; S. SCAPECCHI; M. ROMANELLI; F. MELANI (2000). 3D-QSAR, GRID DESCRIPTORS AND CHEMOMETRIC TOOLS IN THE DEVELOPMENT OF SELECTIVE ANTAGONIST OF MUSCARINIC RECEPTOR.. In: K. GUNDERTOFTE AND F.S. JORGENSEN (EDS.). MOLECULAR MODELING AND PREDICTION OF BIOACTIVITY, pp. 334-335, New York: Kluwer Academic/Plenum Publisher, ISBN:9780306462177.

F. Melani; P. Gratteri; C. Bonaccini; M. Adamo; V. Colotta (2000). Field-Interaction-Ligand-Optimization ( F.I.L.O.) in the development of 3D-QSAR models for the rational design of selective adenosine receptor ligands. In: XVI International Symposium on Medicinal Chemistry, Bologna, 18-22 Settembre 2000, d, pp. 138-138.

P. GRATTERI; G. CRUCIANI (1999). Experimental design and multivariate calibration in the development, set-up and validation of a differential pulse polarographic and UV-spectrophotometric method for the simultaneous plasmatic determination of the therapeutic metronidazole-pefloxacin combination. ANALYST, vol. 124, pp. 1683-1688, ISSN:0003-2654

Guerrini G.; Costanzo A.; Bruni F.; Ciciani G.; Selleri S.; Gratteri P.; Costa B.; Martini C.; Lucacchini A. (1999). Benzodiazepine receptor ligands III. Synthesis and biological evaluation of 2- and/or 3-substituted pyrazolo[5,1-c][1,2,4]benzotriazine 5-oxides. IL FARMACO, vol. 54, pp. 375-389, ISSN:0014-827X DOI

G. GUERRINI; A. COSTANZO; F. BRUNI; G. CICIANI; S. SELLERI; P. GRATTERI; B. COSTA; C. MARTINI; A. LUCACCHINI (1999). Benzodiazepine receptor ligands. Part III. Synthesis and biological evaluation of 2 and/or 3-substituted pyrazolo[5,1-c][1,2,4] benzotriazine 5-oxides.. IL FARMACO, vol. 54, pp. 375-389, ISSN:0014-827X

S. FURLANETTO; S. PINZAUTI; P. GRATTERI; E. LA PORTA; G. CALZERONI (1997). EXPERIMENTAL DESIGN STRATEGIES IN THE OPTIMIZATION AND ROBUSTNESS TESTING OF ADSORPTIVE STRIPPING VOLTAMMETRIC CONDITIONS FOR KYNURENIC ACID DETERMINATION.. JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS, vol. 15, pp. 1585-1594, ISSN:0731-7085

S. PINZAUTI; P. GRATTERI; S. FURLANETTO; P. MURA; E. DREASSI; R. PHAN-TAN-LUU (1996). Experimental design in the development of voltammetric method for the assay of omeprazole. JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS, vol. 41, pp. 881-889, ISSN:0731-7085

P. GRATTERI; S. FURLANETTO; E. LA PORTA; S. PINZAUTI; R. LEARDI (1996). DEVELOPMENT AND SET-UP OF DRUG ELECTROANALYSIS BY EXPERIMENTAL DESIGN: A SURVEY.. IL FARMACO, vol. 51, pp. 231-246, ISSN:0014-827X

S. FURLANETTO; P. GRATTERI; S. PINZAUTI; R. LEARDI; E. DREASSI; G. SANTONI (1995). DESIGN AND OPTIMIZATION OF THE VARIABLES IN THE ADSORPTIVE STRIPPING VOLTAMMETRIC DETERMINATION OF RUFLOXACIN IN TABLETS, HUMAN PLASMA AND URINE.. JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS, vol. 13, pp. 431-438, ISSN:0731-7085

GRATTERI P.; S. FURLANETTO; S. PINZAUTI; LEARDI R.; CORTI P. (1995). Optimization by experimental design of the adsorptive stripping voltammetric parameters in the determination of cinoxacin. ELECTROANALYSIS, vol. 7, pp. 1161-1164, ISSN:1040-0397

P. GRATTERI; S. FURLANETTO; S. PINZAUTI; E. LA PORTA; P. MURA; G. SANTONI (1994). ADSORPTIVE STRIPPING VOLTAMMETRY FOR THIOMERSAL ASSAY.. JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS, vol. 12, pp. 273-276, ISSN:0731-7085

P. CORTI; P. GRATTERI; S. FURLANETTO; S. PINZAUTI; G. CORBINI (1994). DETERMINATION OF SOME QUINOLONES IN TABLETS, HUMAN PLASMA AND HURINE BY DIFFERENTIAL-PULSE POLAROGRAPHY.. INTERNATIONAL JOURNAL OF PHARMACEUTICS, vol. 111, pp. 83-87, ISSN:0378-5173

S. FURLANETTO; P. MURA; P. GRATTERI; S. PINZAUTI (1994). STABILITY PREDICTION OF CEFAZOLIN SODIUM AND CEPHALORIDINE IN SOLID STATE.. DRUG DEVELOPMENT AND INDUSTRIAL PHARMACY, vol. 20, pp. 2299-2313, ISSN:0363-9045

G. SANTONI; P. GRATTERI; S. FURLANETTO; S. PINZAUTI; A. TONSINI (1994). HIGH-PERFORMANCE LIQUID CHROMATOGRAPHIC DETERMINATION OF BENZALKONIUM AND NAPHAZOLINE OR TETRAHYDROZOLINE IN NASAL AND OPHTHALMIC SOLUTIONS.. IL FARMACO, vol. 49, pp. 751-754, ISSN:0014-827X

G. Santoni; A. Tonsini ; P. Gratteri; P. Mura; S. Furlanetto; S. Pinzauti (1993). Determination of atropine sulphate and benzalkonium chloride in eye drops by HPLC. INTERNATIONAL JOURNAL OF PHARMACEUTICS, vol. 93, pp. 239-243, ISSN:0378-5173

G. Santoni; L. Fabbri; P. Gratteri; G. Renzi; S. Pinzauti (1992). Simultaneous determination of aspirin, codeine phosphate and prpyphenazone in tablets by reversed-phase high-performance liquid chromatography.. INTERNATIONAL JOURNAL OF PHARMACEUTICS, vol. 80, pp. 263-266, ISSN:0378-5173

P. Gratteri; S. Pinzauti ; E. La Porta; G. Papeschi; S. Furlanetto (1992). Adsorptive stripping voltammetry in pharmaceutical analysis. IL FARMACO, vol. 47, pp. 695-709, ISSN:0014-827X

G. Papeschi; S. Pinzauti; P. Gratteri; M. Larini (1992). Copper (II) ion-selective sensor with elettrolitically plated chalcogenide coating. SENSORS AND ACTUATORS. A, PHYSICAL, vol. 7, pp. 544-548, ISSN:0924-4247

P. Gratteri; S. Pinzauti ; E. La Porta ; G. Papeschi ; V. Cavrini; G. Santoni (1991). Differential-pulse adsorptive stripping voltammetry of chlorhexidine. ANALYST, vol. 116, pp. 723-725, ISSN:0003-2654

M. Bambagiotti Alberti; S. Pinzauti; G. Moneti; S.Coran; P. Gratteri (1991). Charactherization of Sanguinaria canadensis extract by positive ion FAB mass spectrometry. JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS, vol. 9, pp. 1083-1087, ISSN:0731-7085

G. Santoni; L. Fabbri; P. Mura; G. Renzi; P. Gratteri; S. Pinzauti (1991). Simultaneous determination of otilonium bromide and diazepam by high performance liquid chromatography.. INTERNATIONAL JOURNAL OF PHARMACEUTICS, vol. 71, pp. 1-5, ISSN:0378-5173

G. Santoni; P. Mura; S. Pinzauti; E. Lombardo; P. Gratteri (1990). Simultaneous UV spectrophotometric determination of procaine hydrochloride and phenazone in an otic formulation.. INTERNATIONAL JOURNAL OF PHARMACEUTICS, vol. 64, pp. 235-238, ISSN:0378-5173

P. Gratteri; S. Pinzauti; E. La Porta; P. Mura; G. Papeschi; G. Santoni (1990). Determination of flubendazole and its dosage forms by differential pulse polarography and UV spectroscopy.. IL FARMACO, vol. 45, pp. 707-714, ISSN:0014-827X

G. Orzalesi; P. Gratteri; S. Selleri (1990). Synthesis of new 1,3- dicyclohexyl barbituric acid derivatives with anti-inflammatory potential activity.. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, vol. 25, pp. 197-201, ISSN:0223-5234

G. Santoni; P. Mura; S. Pinzauti; P. Gratteri; E. La Porta (1989). Simultaneous determination of naphazoline and diphenhydramine hydrochlorides in nasal drops by second-order derivative UV spectroscopy. Int. J. Pharm. 50, 75-78. INTERNATIONAL JOURNAL OF PHARMACEUTICS, vol. 50, pp. 75-78, ISSN:0378-5173

G. Orzalesi; S. Selleri; P. Gratteri; S. Pinzauti (1989). Chromatographic analysis of picotamide and its impurities. INTERNATIONAL JOURNAL OF PHARMACEUTICS, vol. 52, pp. 225-229, ISSN:0378-5173

S. Pinzauti; M. Bambagiotti Alberti; G. Moneti; E. La Porta; S. Coran; F. Vincieri; P. Gratteri (1989). Determination of benzalkonium chloride in contact lens solutions by positive ion FAB mass spectrometry.. JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS, vol. 7, pp. 1611-1616, ISSN:0731-7085

S. Pinzauti; E. La Porta; P. Gratteri; G. Papeschi; V. Giannellini (1989). Determination of isosorbide-5-mononitrate in tablets by differential pulse polarography.. PHARMACEUTICA ACTA HELVETIAE, vol. 64, pp. 125-128, ISSN:0031-6865

S. Pinzauti; E. La Porta; F. Vincieri; P. Gratteri; G. Papeschi; M. Bambagiotti Alberti (1988). Differential pulse polarographic determination of total bezophenantridinium alkaloids in Sanguinaria extract-based oral rinses.. INTERNATIONAL JOURNAL OF PHARMACEUTICS, vol. 46, pp. 255-260, ISSN:0378-5173

S. Pinzauti; G. Papeschi; E. La Porta; P. Mura; P. Gratteri (1988). Differential electrolytic potentiometry (DEP) with twin silver-silver sulphide membrane electrodes in micro titration of quaternary ammonium compounds. JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS, vol. 6, pp. 957-961, ISSN:0731-7085

Paola GRATTERI

Curriculum

Paola Gratteri gained her PhD in Drug Chemistry from the University of Firenze in 1992, was a postdoctoral fellow at the University of Aix-Marseille III—Laboratoire de la MIthodologie de la Recherche ExpIrimentale, France (1994) and later at the Laboratorio di Chemiometria, Perugia Italy (1996). She was assistant professor in 1992-2001 and since 2001 associate professor at University of Florence.

She earned the Abilitazione Scientifica Nazionale ASN for full professor - 03/D1 Chimica e Tecnologie Farmaceutiche, Tossicologiche e Nutraceutico-Alimentari (period: 31/07/2017 -31/07/2028, https://asn16.cineca.it/pubblico/miur/esito-abilitato/03%252FD1/1/2)

Her research interests are in the areas of the development and application of bioinformatics and computational procedures applied to the study and evaluation of the mechanism underlying target/ligand recognition processes. The computational approaches mainly used, of the structure-based and ligand-based type, involve ▪ molecular docking; ▪ dynamic simulations (MDs); ▪ statistical mechanic for the analysis of thermodynamical properties of biological molecules. ▪ ADMET property predictions, ▪ mixed QM/MM methods; ▪ multivariate analysis.

Her research contributions mainly focused on the targets ▪ DNA, both in the double stranded (ds) and non-canonical (i.e. G-quadruplex) conformations, and ▪ human and bacterial carbonic anhydrases (CAs).

is the author of over numerosus publications on high impact international journals (https://pubmed.ncbi.nlm.nih.gov/?term=Gratteri+P+&sort=date&show_snippets=off; https://www.scopus.com/authid/detail.uri?authorId=6701616951

Due to the interdisciplinary character of drug discovery projects, Prof. Gratteri has established long term scientific collaborations with different Universities at national and international level, gaining important results both in cooperating and managing research networks

She is the scientific director of several projects, referee for several international journals and participates to academic committees and boards (President of the Bachelor's Degree in Applied Pharmaceutical Science – Quality Control; Board Member of the School of Human Health Science; first member and then President of the Joint Teachers-students Committee - School of Human Health Science, Board Member of the PhD in Drug area and innovative treatments, member of the review team for the periodical quality evaluation (PQE) and certification activities of the Bachelor's Degree in Applied Pharmaceutical Science – Quality Control, and in charge for the quality assurance of the course, Delegate of the head of the NEUROFARBA department for the Scientific direction of the educational laboratory of the master and bachelor degree courses LM13- Farmacia, LM-13 CTF, L29 Scienze Farmaceutiche applicate – Controllo Qualità). She was referee as part of the VQR2015-2019 campaign and Key User for VQR 2015-2019 and 2020-2024 campaigns.

Currently, she holds as lecturer of several courses for undergraduate students in L29-Applied Pharmaceutical Sciences - Quality Control, LM13-Pharmacy, LM13-Pharmaceutical Chemistry and Technology and PhD students of the doctorate in Area of Drug and Innovative Treatments, curriculum in Pharmaceutical Sciences.