Gene set enrichment analysis of α-amylase and α-glucosidase inhibitors of .

BACKGROUND

The present study aimed to evaluate α-amylase and α-glucosidase inhibitory activity of various extracts of predict the binding affinity of multiple phytoconstituents with both enzymes via in silico molecular docking and identify the probably modulated pathways by the lead hit.

METHODS

Different extracts of i.e. acetone, ethanol, and aqueous extracts were evaluated for α-amylase and α-glucosidase inhibitory activity using method in which starch and 4-Nitrophenyl β-D-glucopyranoside were used as substrate respectively. Similarly, the docking study was performed using autodock4 to predict the binding affinity of phytoconstituents with α-amylase and α-glucosidase. After docking, ten different poses were obtained for the ligand molecule. Among them, the pose of ligand molecule with the lowest binding energy was visualized in Discovery Studio 2019.

RESULTS AND CONCLUSION

Among the multiple extracts, the aqueous extract showed the highest α-amylase (IC:652.10 ± 20.09) and α-glucosidase (IC:482.46 ± 8.70) inhibitory activity. Similarly, cassiaoccidentalin B was predicted to have the highest binding affinity with both enzymes. The potency of aqueous extract to inhibit α-amylase and α-glucosidase could be due to multiple water-soluble compounds like saponins, flavonoids, and glycosides.