20.500.12556/RUL-169970 ▫$α$▫-heteroarylthiomethyl ketones small molecule inhibitors of 3CL[sup]pro The main protease 3CL$^pro$ of the SARS-CoV-2 virus is a well- -established therapeutic target for the treatment of COVID19. In this study, we screened an in-house compound library and identified a series of α-heteroarylthiomethyl ketones as inhibitors of 3CLpro. Among these, analogues 31 and 33 emerged as the most interesting candidates with IC$_{50}$ values of 95.4 ± 3.1 and 95.0 ± 6.9 µmol L$^{-1}$, respectively. Preliminary in vitro studies suggest a potential covalent mode of inhibition, although further studies are required to confirm this mechanism. These findings provide a new chemical scaffold for the development of 3CL$^pro$-targeting inhibitors SARS-CoV-2 3CLpro inhibitors main protease covalent inhibitors ketones SARS-CoV-2 zaviralci 3CLpro glavna proteaza kovalentni zaviralci ketoni true false true Angleški jezik Slovenski jezik Članek v reviji 2025-06-30 07:55:44 2025-06-30 07:55:47 2025-07-01 03:55:46 0000-00-00 00:00:00 2025 0 0 str. 283-297 iss. 2 Vol. 75 2025 0000-00-00 Zaloznikova Objavljeno NiDoloceno 0000-00-00 0000-00-00 0000-00-00 578.834 1846-9558 10.2478/acph-2025-0023 240680451 28325.pdf 28325.pdf 1 A18FB14A5FF799CD5AFE43FB2AE1D712 5717347ee68fac54fc9fe21bb44c3fa07ce4de0514a7628b310387827be1ae1e e81b4beb-5575-11f0-b232-0050569b8976 https://repozitorij.uni-lj.si/Dokument.php?lang=slv&id=211848 https://acta.pharmaceutica.farmaceut.org/wp-content/uploads/2025/06/28325.pdf 1 fb11b3db-5574-11f0-b232-0050569b8976 https://repozitorij.uni-lj.si/Dokument.php?lang=slv&id=211847 Fakulteta za farmacijo 0 0 0