Inhibition of Potential Target SOD1 Involved in Amyotrophic Lateral Sclerosis (ALS) by the Bioactive Compounds From Phyllanthus Acidus L.
Posted: 10 Feb 2020
Date Written: January 10, 2020
ALS is a neurodegenerative disorder that leads to progressive muscle weakness. ALS is one of the main cause of death for people with respiratory failure. About 5-10% of the ALS is due to single site mutation in the SOD1 gene. The mutant SOD1 decreases the stability of the protein and gains toxic nature due to aggregation. Since the plant Phyllanthus acidus showed the inhibitory activity against mutant SOD1, the present study was carried out to identify the potent bioactive compound from Phyllanthus acidus L. using molecular docking (Glide) and dynamic studies (GROMACS). Among the compounds studied the coumaric acid was found to have good interaction with the mutant SOD1 (4MTC.pdb) and the Gscore value of -6.0. The results of the molecular dynamic simulation study showed the stability of protein ligand complex at 20ns.
Suggested Citation: Suggested Citation