Unfolding Biomechanism of Dolichos lablab Bean as A Dietary Supplement in Type 2 Diabetes Mellitus Management through Computational Simulation

Dietary intervention, particularly legumes consumption, plays a significant role in promoting health status in diabetes mellitus management. As poorly known legumes, Dolichos lablab (DL) is possibly to be one of the dietary options for diabetes intervention. However, the predictive or precise mechanism of DL’s anti-diabetic activity remains inconclusive. This study aimed to determine the nutritional and phytochemical content in addition to anti-diabetic properties of DL. Total protein, crude fat, crude fibers, and gross energy were evaluated, while anti-diabetic properties were predicted using molecular docking according to identified compound from Liquid Chromatography-High Resolution Mass Spectrometry (LC-HRMS) analysis. Screened compound from molecular docking then passed to physicochemical properties and bioactivity prediction using Swiss-ADME and molinspiration, separately. The result showed that DL has high protein fiber and gross energy content with a lower fat percentage. Additionally, DL has numerous phenolic acid and flavonoid compounds according to LC-HRMS analysis. From the docking analysis, fourteen compounds have substantial probability to give the beneficial effect of glucose metabolism regulator and insulin signaling repairers through inhibition of ?-amylase, DPP4, and PTP1B. Finally, from the physicochemical properties and bioactivity estimations, 19-Norandrostenedione, 19-Nortestosterone, Icariside B1, Ilicic Acid, and Psilostachyin B have excellent pharmacokinetic properties along with considerable biological activity as enzyme inhibitors and nuclear receptor ligands. In conclusion, nutritional evaluation and molecular docking analysis revealed that DL might serve as a suitable dietary intervention for diabetes mellitus management.