In Vitro and in Silico Analysis of α -Amylase Inhibitory Activity of Ethanolic Extract of Adhatoda vasica Leaves

ObjectiveDiabetic individuals have a higher probability of suffering from illness and death due to small blood vessel-related problems such as retinopathy, neuropathy, nephropathy, and stroke than other complications. There are many synthetic anti-diabetic agents available, but these can be expensive and have undesirable pathological effects. The enzyme alpha-amylase (hydrolase), catalyzes the hydrolysis of starch to maltose and glucose via the cleavage of alpha-1,4-glucosidic linkages. Diabetes mellitus patients may benefit from a therapeutic strategy that involves slowing the hydrolysis of starch by inhibiting the activity of alpha-amylase. Thus, looking for cost-effective, natural, and safe antidiabetic agents is essential. This study aims to screen phytoconstituents and evaluate the in-vitro and in-silico alpha-amylase inhibitory activity of the ethanolic extract of Adhatoda vasica leaves. MethodsThe extraction of Adhatoda vasica leaves was performed using ethanol via the Soxhlet extraction process. Different concentrations (100 mu g/mL to 1000 mu g/mL) of ethanolic extract, Acarbose, and Sitagliptin, were prepared and evaluated for alpha-amylase inhibitory activity using the spectrophotometric method. Molecular docking (AutodockVina 1.2.0) and toxicity profiling (SToPToX web server) studies were performed. ResultsThe ethanolic extract of Adhatoda vasica leaves showed the highest percentage inhibition against alpha-amylase (56.763 +/- 0.0035) at a concentration of 1000 mu g/mL. The in-silico study supported this inhibitory activity. Vasicoline (C5) and Quercetin (C9), the active constitute of Adhatoda vasica, showed the best binding energies of -8.3 and -8.0 Kcal/mol, respectively against alpha-amylase enzyme (PDBID: 4W93). A toxicity study revealed the safety profile of the plant extract. ConclusionIt was concluded that Adhatoda vasica leaves possess some bioactive compounds that are responsible for controlling blood glucose levels, and their identification, purification, and isolation may lead to the development of new therapeutic agents with fewer side effects than the available drugs.