Original Articles
Jerine Peter S, Arunraj N, Ram
Abstract
Cyamopsis tetragonoloba is a commercially available plant found all-over India, this plant is commonly called as kotthavarai in Tamil which is commercially available as guar gum powder, that is known to have properties like anti-inflammatory, anti-microbial and anti-tumour. It is used for treating diseases like cancer, diabetes and has weight loss property. Hepatotoxicity is caused by the adverse effect of synthetic drugs that mainly affects the liver. The aim of our research study is to know the potential binding activity of C.tetragonoloba through in silico study analysis. The analysis is done through Patch dock online server. 3D structure of the ligands of C.tetragonoloba was retrieved from PubChem online server followed by the molecular network called Corina. The receptors which are responsible for causing hepatotoxicity were obtained from RCBS protein data bank. Using Patch dock online server the docking of ligand and receptor was carried out and the binding site is visualized using PyMOL software. The ligands like alpha-Monostearin, Ethyl alpha-d-glycopyranoside, Hexopyranosyl hexopyranoside, 2-Hexadecanoyl glycerol, 3-(2-Hydroxy-3,4-dimethoxyphenyl)-7-chromanol, 3,5-Dihydroxy-6-methyl-2,3-dihydro-4H-pyran-4-one, Ethyl alpha-d-glycopyranoside, Mono(2-ethylhexyl) phthalate, 3-(2-Hydroxy-3,4-dimethoxyphenyl)-7-chromanol, and palmitic acid has shown high binding potential activity with corresponding receptors of C.tetragonoloba. Based on our in silico analysis, further in vivo study can by analysed to know the potential binding activity of C.tetragonoloba plant.