Editor-in-Chief
Hatice Kübra Elçioğlu
Vice Editors
Levent Kabasakal
Esra Tatar
Online ISSN
2630-6344
Publisher
Marmara University
Frequency
Bimonthly (Six issues / year)
Abbreviation
J.Res.Pharm.
Former Name
Marmara Pharmaceutical Journal
Journal of Research in Pharmacy
2021 , Vol 25 , Issue 6
Molecular modelling studies to suggest novel scaffolds against SARS-CoV-2 target enzymes
1Department of Drug Discovery and Development, Institute of Health Sciences, Bezmialem Vakif University, 34093 Fatih, İstanbul, Turkey2Vocational School of Health Services, Fenerbahçe University, 34758, Ataşehir, Istanbul, Turkey
3Computer-aided Drug Discovery Laboratory, Department of Pharmacology, Faculty of Pharmacy, Bezmialem Vakif University, 34093, Istanbul, Turkey DOI : 10.29228/jrp.96 In this study, molecular modelling study of previously synthesized compounds against SARS-CoV-2 target enzyme was performed. A subset of 156 compounds from an in-house database has been subjected to molecular modelling studies against the SARS-CoV-2 ADP-ribose phosphatase (ADRP, NSP3), Papain-like protease (PLpro), and uridine specific endoribonuclease (NSP15) enzymes. We have identified one compound that is expected to inhibit the SARS-CoV-2 ADRP enzyme and one compound that is expected to inhibit the NSP15 enzyme. Keywords : SARS-CoV-2; Covid-19; ADRP; PLpro; Nsp15; docking; molecular dynamics