In Silico Evaluation of Antidiabetic Activity and ADMET Prediction of Compounds from Musa acuminata Colla Peel

Diabetes is a severe chronic disease that affects 422 million adults worldwide in 2014. It was the fifth leading cause of mortality Philippines 2019. The primary death diabetic patients due to cardiovascular disease. α-Glucosidase inhibitors (AGIs) are known for their benefits because they prevent postprandial glucose level from increasing, which plays significant role development diseases. synthesis AGIs complex and requires lot steps. Thus, there need explore discover especially plants, sources bioactive compounds. Drug discovery entails complex, costly, time-consuming, risky process. Computer-aided drug discovery/ design (CADD) methods such as molecular docking ADMET (absorption, distribution, metabolism, excretion, toxicity) prediction have been developed identify promising compounds will be tested vitro vivo experiments. This shortens research process helps reduce expense risk failure discovery. In this study, conducted predict α-glucosidase inhibitory activity Musa acuminata Colla peel against human intestinal α-glucosidase. Out 87 compounds, only 11 were found better or comparable binding affinity with standard, acarbose (–8.8 kcal/mol) – namely, sesamin (–9.8 kcal/mol), asarinin (–9.7 quercetin- 7-rutinoside (–9.4 kaempferol-3-rutinoside (–)-epicatechin (–9.0 kcal/ mol), (+)-catechin (–8.9 myricetin-3-rutinoside quercetin kaempferol-3-rhamnoside-7-glucoside stigmasterol β-sitosterol (-8.8 Kcal/mol). properties drug-likeness revealed how best may behave inside body. Some safe good absorption, excretion properties. They showed potentials lead drugs.