MOLECULAR DOCKING ANALYSIS OF BIOACTIVE COMPONENTS FROM Phyllantus niruri FOR ITS ANTIDIABETIC POTENTIAL

ABSTRACT Diabetes is a chronic metabolic disease characterized by elevated levels of blood glucose (or blood sugar), which, over time, leads to damage to the heart, blood vessels, eyes, kidneys, and nerves. This study aimed at identify novel inhibitors of human salivary amylase (HSA) from methanol leaf extract of Phyllantus niruri for the treatment of Type II Diabetes mellitus. This study aimed at identifying novel inhibitors of human salivary amylase (HSA) from methanol leaf extract of Phyllantus niruri for the treatment of Type II Diabetes mellitus. The fresh sample of Phyllantus niruri was extracted, screened for phytochemicals, analysed using Gas Chromatography-Mass Spectrometry (GC-MS) technique and then docked with Autodock 4.0 program. The results of the phytochemical analysis of the methanol extract of Phyllantus niruri revealed the presence of alkaloids, tannins, flavonoids, anthocyanins, cardiac glycosides, and phenols, while saponins, steroids, quinones and terpenoids were not detected. The GC-MS result revealed a total of thirty-one (31) compounds. Based on the docking results, CID_312822 had the best binding energy of -9.22 kcal/mol, followed by CID_616782 with a binding energy of -8.42 kcal/mol, and CID_41687, which has a binding energy of -6.37 kcal/mol. All compounds were non-toxic except CID_5363335, which had a high tumorigens with low mutagenicity and irritability. In conclusion, the results of this study highlight the possible health benefits of methanol leaf extract of Phyllanthus niruri and lay a foundation for further investigation into its antidiabetic use. Keywords: Phyllantus niruri; Diabetes Mellitus; Human Salivary Amylase; Molecular Docking