@article{article_1694248, title={Molecular modelling studies to suggest novel scaffolds against SARS-CoV-2 target enzymes}, journal={Journal of Research in Pharmacy}, volume={25}, pages={1010–1017}, year={2025}, author={Şahin, Ahmet Fatih and Küçükgüzel, Ş. Güniz and Akdemir, Atilla}, keywords={SARS-CoV-2, Covid-19, ADRP, PLpro, Nsp15, docking, molecular dynamics}, abstract={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.}, number={6}, publisher={Marmara University}