Simona Distinto
Professor
Department of Life Sciences and the Environment
University of Cagliari
Italy
Biography
Associate Professor National Scientific Enabler for Second Range Professor. Annuality 2012 and Annuality 2013. Validity until 21/01/2021.
Research Interest
Computer Aided Molecular Design and Drug Discovery: - structure-based methods (docking and ensemble docking, generation of pharmacophore models, molecular dynamics); - ligand-based methods (pharmacopore models, shape-based methods, molecular fingerprints, quantitative structure-activity relationships (QSAR)); - application of in silico methods for predicting compounds chemical-physical properties. In particular for the determination of drug-like properties. All methods can be applied to rationalize the biological activity of active compounds or to perform databases virtual screening to search for possible lead compounds on different biological targets.
Publications
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Meleddu, R .; Distinto, S. * ; Corona, A .; Tramontano, E .; Bianco, G .; Melis, C .; Cottiglia, F .; Maccioni, E., Isatin thiazoline hybrids as dual inhibitors of HIV-1 reverse transcriptase. Journal of Enzyme Inhibition and Medical Chemistry 2017 , 32 (1), 130-136, 101080 / 14756366.2016.1238366.
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Esposito, F .; Mandrone, M .; Del Vecchio, C .; Carli, I .; Distinto, S .; Corona, A .; Lianza, M .; Piano, D .; Tacchini, M .; Maccioni, E .; Cottiglia, F .; Saccon, E .; Poli, F .; Parolin, C .; Tramontano, E., Multi-target activity of Hemidesmus indicus decoction against innovative HIV-1 drug targets and characterization of Lupeol mode of action. Pathogens and disease 2017 , 10,1093 / femspd / ftx065.
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Bianco, G .; Meleddu, R .; Distinto, S. * ; Cottiglia, F .; Gaspari, M .; Melis, C .; Corona, A .; Angius, R .; Angeli, A .; Tavern, D .; Alcaro, S .; Leitans, J .; Kazaks, A .; Tars, K.; Supuran, CT; Maccioni, E., N-Acylbenzenesulfonamide Dihydro-1,3,4-oxadiazole Hybrids: Seeking Selectivity towards Carbonic Anhydrase Isoforms. ACS Medicinal Chemistry Letters 2017 , 101021 / acsmedchemlett.7b00205.
