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This research article aims to study at molecular level by in silico GRIP docking the effectivity of the detected compounds in value added black tea or VABT, prepared in a chemometrically optimized ratio of Black tea:Cinnamon (Cinnamomum zeylanicum):Ginger (Zingiber officinale):Cardamom (Elettaria cardamomum) in combating diabesity. The compounds in VABT were identified by liquid chromatography-mass chromatography. Basing on the desirability function, the chemometrically optimized weight ratio of VABT was determined to be 420:50:54:26 (Black tea:cinnamon:ginger:cardamom). Among the identified molecules, phlorizin, 6-gingerol, procyanidin, and epicatechin were docked with insulin receptor kinase, pancreatic lipase-colipase complex, and human FTO. The high negative dock scores of the test molecules in inhibiting the enzymes suggest their potency. Thus, the results of in silico studies predicted the potency of VABT in combating diabesity. VABT thus has potency and can serve as a nutrotherapeutic entity against diabesity.

In silico molecular GRIP docking of some secondary metabolites combating diabesity