BIOORGANIC CHEMISTRY, vol.76, pp.478-486, 2018 (SCI-Expanded)
In this study, a new series of benzimidazole and bisbenzimidazole derivatives were prepared via the reaction of iminoester hydrochlorides and o-phenylenediamines and then screened for their lipase inhibition properties. Among the synthesized molecules, compounds 7a, 8a and 8c showed the best inhibitory effect against lipase enzyme with IC50 values of 1.72 +/- 0.12 mu M, 1.92 +/- 0.28 and 0.98 +/- 0.07 mu M, respectively. Moreover, molecular modeling studies were performed in order to understand to the inhibitory activity of the molecules. Binding poses of the studied compounds were determined at the target sites using induced fit docking (IFD) algorithms. (C) 2017 Elsevier Inc. All rights reserved.