Molecular Docking Studies of Ubhasanthi Chooranam against the Target enzyme (MAO) - A and (MAO) - B of Parkinson’s disease

Authors

  • RishiKumar E Velumailu Siddha Medical College and Hospital, Sriperumbudur.
  • Dr. Janani Saravana L Velumailu Siddha Medical College and Hospital, Sriperumbudur
  • Dr. Balagurusamy K Velumailu Siddha Medical College and Hospital, Sriperumbudur

Keywords:

Ubhasanthi chooranam, Parkinson’s disease, Dopamine, MAO-A, MAO-B

Abstract

Background- Parkinson’s Disease (PD) is caused by the progressive loss of dopaminergic neurons. More than 6 million people in the world are affected with a  prevalence of 150 in every 100,000 people. Monoamine Oxidase (MAO) exists in two isoforms, MAO-A and MAO-B. Inhibition of Monoamine Oxidase A and B  proves to be an effective treatment mechanism for Parkinson’s disease. Objective- The present study is aimed to assess the potential of Ubhasanthi Chooranam (USC) against Monoamine Oxidase A- (MAO-A) with PDB – 2Z5X and Monoamine Oxidase B- (MAO-B) with PDB – 2V5Z for Parkinson’s disease. 
Methodology- Molecular docking was performed using Auto dock and Docking simulations were performed using the Lamarckian genetic algorithm (LGA)  and the Solis & Wets local search method. Docking calculations were carried out for retrieved phytocomponents such as Piperidine, Piperine, Gingerenone-A,  Kaempferol, Glycyrrhizin, Quercitin, β-sitosterol, Oleic acid, Cucurbitacin, Kaempferitrin against target enzyme MAO A& B. Results- The data shows that the  phytocomponents such as Glycyrrhizin, Quercetin, β- sitosterol, Oleic acid, Cucurbitacin, Kaempferitrin and Gingerenone-A reveals maximum of 3 interactions in comparison with STD Clorgyline showing 4 interactions with the core active amino acid residues of MAO- A. The phytocomponents such as Glycyrrhizin, Cucurbitacin and Kaempferitrin reveals 4 interactions with the MAO- B in comparison with standard Selegiline showing 4 interactions with the active site of the enzyme. Conclusion- USC possess significant binding against the target MAO A & B by interacting with active amino acid present on the active site and may act effective in management of PD. 

Published

2023-12-30

How to Cite

RishiKumar E, Janani Saravana L, & Balagurusamy K. (2023). Molecular Docking Studies of Ubhasanthi Chooranam against the Target enzyme (MAO) - A and (MAO) - B of Parkinson’s disease. Journal of Siddha, 7(1), 42-65. Retrieved from https://jos.nischennai.org/index.php/jos/article/view/92