In vitro and in-silico inhibitory validation of Tapinanthus cordifolius leaf extract on alpha-amylase in the management of type 2 diabetes

Tapinanthus cordifolius an African mistletoe is important medicinal plant that has been shown to lower postprandial hyperglycemia. It proposed mistletoe's hypoglycemic effects are related its ability blood glucose levels and the anti-diabetic activity of some these parasitic plants might be due their block action alpha-amylase. To identify prospective alpha-amylase inhibitors for drug discovery, current study used in vitro experiments computational methods such as molecular docking, pharmacophore modelling, ADMET profiling evaluate inhibitory leaf extracts bioactive components. The crude extract showed highest inhibiting with IC50 value 26.88 μg/ml. Gas chromatography-mass spectroscopic analysis gave 43 phytochemicals, including sesquiterpenes, diterpenes, triterpenes derivatives, phytosterols, tocopherols. docking compounds identified benzaldehyde, 4-(Ethylthio)-2,5-dimethoxy, alpha-Tocopherol-Beta-D-Mannoside, 5-ergosterol, 3,4,5-trimethoxybenzoic acid, acetosyringone five top-scoring compounds. Their binding energies which ranged from −4.944 −4.365 kcal/mol, were close reference compound, was −5.67 kcal/mol. Like ligand, interacted crucial active site amino acid residues They also possess favorable drug-like properties well a low-risk profile. Hence, could subjected lead optimization experimental studies further development into novel drugs managing type 2 diabetes mellitus.