Alpha-glucosidase activity of phytochemicals from phyllanthus amarus leaves via in-silico approaches

Abstract

Diabetes mellitus is a metabolic disease that poses a serious global health challenge. The provision of alterna- tive and complementary medicine to combat the disease has attracted the attention of numerous scientists. In this study, anti - 𝛼-glucosidase activities of selected seven compounds obtained from Phyllanthus amarus leaves were explored using computational chemistry approach. The absorption, distribution, metabolism and excretion (ADME) properties of the compound with the best binding affinity and metformin were examined. The descriptors obtained from the optimized compounds accurately describe anti - 𝛼-glucosidase activities of the studied com- pounds. The results showed that Compound 1 [(1 S ,19 R ,21 S ,22 R ,23 R )-6,7,8,11,12,13,22,23-octahydroxy-3,16- dioxo-2,17,20-trioxatetracyclo[17.3.1.0 4,9 .0 10,15 ] tricosa-4,6,8,10,12,14-hexaen-21-yl] 3,4,5-trihydroxybenzoate possesses greater capacity to inhibit 𝛼-glucosidase than other studied compounds selected from Phyllanthus amarus leaves as well as Metformin.