Screening of Phytochemicals and In silico Approach through Drug Design of Centella asiatica - Abstract
Centellaasiatica is a valuable medicinal herbaceous aromatic creeper which has been valued for centuries in ayurvedic medicine. Phytochemical analysis of Centellaasiatica plant extracts revealed the presence of various biochemical compounds such as alkaloids, flavonoids, glycosides, triterpenoids and saponins etc. Since triterpenoids and flavonoids have remarkable anti-inflammatory activity also Phyto compound possess a wide range of activities, which may help in protection against tuberculosis diseases. In this study, the molecular docking was applied to explore the binding mechanism and to correlate its docking score with the activity of plant derived compounds and also identified targets were validated through some other databases to select the better ones and design the drug. This study reveals that NOD2 is a better potential drug target for tuberculosis and Quercetin is the best ligand to inhibit NOD2 and might be prevent the disease Tuberculosis. Our result can be useful for the design and development of novel compounds having better inhibitory activity against several type of Tuberculosis. This potential agent will be a promising candidate can further be validated in research for its proper function. This work would help to design a potent lead molecule against any other disease.