Discovery of A Novel Synthetic Thiazole-benzimidazole Conjugate that Acts as a Potent Pancreatic Lipase Inhibitor using in silico and in vitro Approaches

Abstract: Aim/ Background: Pancreatic lipase (PL) inhibition has been suggested to be an effective method for obesity management. In this study, 10 novel thiazole-benzimidazole conjugates were designed. Materials and Methods: Conjugates initially screened via in silico experiments, such as ADMET analysis molecular docking, identify the most promising PL inhibitors. Results: Results revealed that compounds 3, 6 8 had optimum druglikeness properties, highest binding affinity PL, with energies of -7.7, -7.5 -8.1 kcal/mol, respectively. Therefore, these derivatives then synthesized subjected assay validate results experiments. The synthetic fully characterized FTIR, 1H-NMR, 13C-NMR LCMS. enzymatic inhibited potently high rates greater than 80% at tested dose, demonstrated IC50 values 68.53, 54.97 50.09 μM, Compound was active derivative displayed comparable activity orlistat which possessed value 39.18μM. Conclusion: we report discovery compound a highly potent inhibitor could act lead develop anti-obesity agents. Keywords: lipase, Inhibition, Thiazole-benzimidazole, silico, vitro, Enzyme assay.