Inhibition of Potential Target SOD1 Involved in Amyotrophic Lateral Sclerosis (ALS) by the Bioactive Compounds From Phyllanthus Acidus L.

Posted: 10 Feb 2020

See all articles by Alagu Janani K G

Alagu Janani K G

Avinashilingam Institute for Home Science and Higher Education for Women

Joseph Sahayarayan J

Alagappa University

Natchimuthu Santhi

Avinashilingam Institute for Home Science and Higher Education for Women

Date Written: January 10, 2020

Abstract

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

K G, Alagu Janani and J, Joseph Sahayarayan and Santhi, Natchimuthu, Inhibition of Potential Target SOD1 Involved in Amyotrophic Lateral Sclerosis (ALS) by the Bioactive Compounds From Phyllanthus Acidus L. (January 10, 2020). Proceedings of International Conference on Drug Discovery (ICDD) 2020, Available at SSRN: https://ssrn.com/abstract=3532842

Alagu Janani K G (Contact Author)

Avinashilingam Institute for Home Science and Higher Education for Women ( email )

Bharathi park road, Tatabad, Forest college campus
Saibaba colony, North Coimbatore
Coimbatore, TN Coimbatore 641043
India
0422 2440241 (Phone)

Joseph Sahayarayan J

Alagappa University ( email )

Karaikudi, Tamil Nadu
India

Natchimuthu Santhi

Avinashilingam Institute for Home Science and Higher Education for Women ( email )

Barathi park road
North Coimbatore
Coimbatore, TN Coimbatore 641043
India

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