Alagoz, Mehmet AbdullahAkkaya, DidemArslan, GulnurUludag, BerkOzdemir, ZeynepBarut, BurakOnkol, Tijen2024-08-042024-08-0420222365-6549https://doi.org/10.1002/slct.202203250https://hdl.handle.net/11616/101067In this study, nine new benzothiazolone derivatives (6 a-i) were designed and synthesized to identify potent cholinesterase inhibitors. The compounds were tested in vitro against acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) and found to be selective to BChE. Compound 6 f proved the most potent derivative (IC50=12.25 +/- 0.23 mu M) against BChE and was identified as a mixed-type inhibitor with a K-i value of 4.45 +/- 0.35 mu M according to the kinetic studies. Molecular modelling suggested that the derivatives were druglike and non-PAINS. Compound 6 f showed good fit in BChE active site interacting with the key sites important for enzyme activity according to the molecular docking study.eninfo:eu-repo/semantics/closedAccessbenzothiazolonecholinesterase inhibitionmolecular dockingArticle74610.1002/slct.2022032502-s2.0-85144216833Q2WOS:000894288900001Q3