Abstract:
Obesity is a serious global health issue, contributing to metabolic disorders such as diabetes, hypertension, and cardiovascular diseases. It is classified based on Body Mass Index (BMI), with individuals having a BMI ≥30 kg/m² considered obese. Current pharmacological interventions, such as Orlistat, function by inhibiting pancreatic lipase, thereby reducing dietary fat absorption. However, natural bioactive compounds offer promising alternatives with potentially fewer side effects. In present study, 50 herbal molecules were selected for screening against pancreatic lipase inhibitory activity, and they were docked onto the 3D structure of pancreatic lipase enzyme (PDB: 1LPB), using Orlistat as the standard drug. The docking scores of these molecules ranged from-5.5 to-10.5 kcal/mol. From this, five molecules were selected for further evaluation of their pancreatic lipase inhibitory activity. Among them, two molecules exhibited the lowest binding energies: Vanillin (-10.2 kcal/mol) and Thymol (-10.5 kcal/mol). Two molecules, Benzil and Benzoin, showed average binding energies (-7.8 and-7.9 kcal/mol), while Benzilic acid had the highest binding energy (-5.8 kcal/mol). Pancreatic lipase inhibitory activity was evaluated using a lipase assay kit. Orlistat demonstrated 90.32% inhibition at 1 µM. Vanillin and Thymol exhibited the highest inhibition, with 90.31% and 89.35%, respectively. Benzoin and Benzil showed promising inhibition, with 74.23% and 70.23%, respectively. Benzilic acid showed the lowest inhibition at 49.34%. in vitro activity validated the developed docking model. These findings underscore the potential of plant-based compounds in obesity management and provide a foundation for further in vitro and in vivo studies to assess their pharmacological efficacy. Future research may facilitate the development of safer and more effective natural therapeutics for obesity treatment.
