Virtual Screening and Analysis of Bioactive Compounds of Momordica charantia against Diabetes using Computational Approaches

The presence of diabetes mellitus confers increased risk of many devastating complications such as cardiovascular diseases, coronary artery disease, stroke, neuropathy, renal failure, retinopathy amputations and blindness5. [...]many parts of the poor countries in the world practices only plant based medicinal therapy to treat diabetic patients. According to the lowest AScore generated the best docking model was predicted by ArgusLab and the binding conformation between the ligand and receptor near the binding site were analyzed by its hydrogen interaction34. The first hydrogen bond interaction with 3.14Å was formed between oxygen atom present in the active site ARG63 and Nitrogen 6 atom in the ligand followed by hydroxyl group present in the active site of ARG 447 bound to the Nitrogen 23 atom in the ligand with the hydrogen bond interaction of 2.45 Å. Thus in the current study, nerolidol exhibited the least binding score against important receptor glucokinase, the former study on the nerolidol compound from the plant Alpinia calcarata exhibited high level of in vitro anti diabetic properties by controlling blood glucose level in high rate35.