Identification of bioactive compounds from the ethnomedicinal plant Senna alata (L.) Roxb. (fabaceae) through in vitro and molecular docking analysis against ?-glucosidase enzyme: a diabetic drug target

Abstract

Senna alata (L.) Roxb. belongs to the family Fabaceae, is reported to have traditional use to treat diabetics and is selected for the study. Preliminary phytochemical analysis was carried out in the selected plant, indicating comparatively higher amounts of phenol, flavonoid, tannin and alkaloids in quantification. The antidiabetic activity of the plant was analyzed and the result indicated that the acetone and methanolic extract showed the lowest IC50 values in ?-amylase and ?-glucosidase assays respectively. The methanolic extract, which showed an IC50 (39.977 ?g/ml) value similar to the standard (35.151?g/ml), was selected for HR-LCMS analysis. HR-LCMS analysis indicated compounds that exhibit antidiabetic properties, including rutin, kaempferol, rhein and luteolin in the extract. Molecular docking analysis revealed 5 compounds showing better binding affinity namely 5-methoxyhydnocarpin-D, quercetin 3-rhamnoside-7-glucoside, marimetin, kaempferol and luteolin, than the standard drugs voglibose and acarbose. The present in vitro antidiabetic study against 5NN8 target protein was supported by molecular docking analysis. Therefore, further study of bioactive compounds identified through HR-LC MS can help develop future drug leads. Using such medicinal plants can support the improvement of the healthcare system as they do not have many side effects. S. alata is an important medicinal plant, but at the same time, it has become a weed in different parts of Kerala. Validation of medicinal properties and identification of bioactive molecules can help the sustainable utilization of the plant.