Akademik Veri Yönetim Sistemi
CURRENT ORGANIC SYNTHESIS, 2026 (SCI-Expanded, Scopus)
Introduction/Objective The present work describes the synthesis, urease, and lipase inhibition, and Structure-Activity Relationship (SAR) studies of some novel benzimidazolone-bridged heterocyclic compounds, including piperazine, thiophene, furan, thiosemicarbazide, thiadiazole, and triazole moieties. At the same time, this study also examines changes in urease and lipase enzyme inhibition activities resulting from the attachment of different heterocycles to the benzimidazolone ring.Methods To elucidate the interactions of the synthesized compounds with the binding sites of urease and lipase enzymes, molecular docking studies were performed using the Schr & ouml;dinger Suite package with the IFD protocol. These molecular docking studies supported the in vitro inhibition results.Results All the synthesized compounds demonstrated excellent urease inhibition activity, with IC50 values between 0.16 +/- 0.037 mu M and 0.37 +/- 0.091 mu M when compared with standard thiourea (0.51 +/- 0.028 mu M).Discussion Compound 6a showed excellent lipase inhibition activity with an IC50 value of 0.003 +/- 0.001 mu M, while the standard drug Orlistat showed 0.25 +/- 0.067 mu M. Compounds 2b, 6a, 6b, 7a, 7b, and 8b showed higher lipase inhibition activity than the standard Orlistat, with IC50 values ranging from 0.003 +/- 0.001 mu M to 0.17 +/- 0.021 mu M.Conclusion The compounds were observed to bind the active sites of both enzyme structures through various non-covalent interactions. Additionally, SAR studies demonstrate that triazole-containing compounds (8a, b) showed the best urease inhibitory activity with IC50 values of 0.16 +/- 0.037 mu M and 0.26 +/- 0.052 mu M, and that thiosemicarbazide derivatives (6a, b) showed the best lipase inhibition with IC50 values of 0.003 +/- 0.001 and 0.14 +/- 0.02 mu M.