In Silico Docking Analysis of Poly Herbal Formulation Aadathodai Kudineer used in Siddha medicine in inhibiting Main Protease and ACE2 Receptor Spike protein SARS-CoV-2

  • Nikil Niva J
  • Sasirekha R
  • Anbu N
  • Shree Devi M S
  • Sathiyarajeswaran P
Keywords: Siddha formulation, Aadathodai Kudineer, SARS-CoV-2, COVID19, Molecular docking, ADME

Abstract

Corona virus disease (COVID-19) is an infectious pandemic disease caused by the newly discovered novel corona virus. World Health Organization has declared the global health emergency due to COVID19 outbreak. Currently, there is no specific treatment or vaccine for fighting against this infectious disease. Aadathodai Kudineer is a drug indicated for Iya Erumal, Kozhai Kattu, Kabasuram. Upon the mortality and severity of the disease COVID19, we tried to identify the possible inhibition of phytocomponents of Aadathodai Kudineer in inhibiting Main Protease and ACE2 Receptor Spike protein SARS-CoV-2 through molecular docking studies. Methodology: In Silico molecular docking analysis was performed for phytocomponents present in the Aadathodai Kudineer formulation for targets main protease and ACE2 Receptor Spike protein, PDB ID: 6LU7 and PDB ID: 2AJF using Autodock tool. ADME properties was also predicted for all the above compounds. Results: Among the 9 active Phytocompounds present in the Aadathodai Kudineer formulation, Lupeol showed high binding affinity with COVID19 main protease and ACE2 receptor which shows the promising contrivance of protease inhibition. The ADME suggested that the formulation is free from toxic. Conclusion: The phytocomponents showed possible affinity towards these targets and has the lead molecules that inhibits COVID19 main protease and ACE2 receptor. 

Author Biographies

Nikil Niva J

PG Scholar, Government Siddha Medical college, Chennai. 600 106.

 

Sasirekha R

Lecturer, Grade-II, Government Siddha Medical college, Chennai. 600 106.

Anbu N

Professor, Head of the Department, Department of General Medicine, Government Siddha Medical college, Chennai. 600 106.

Shree Devi M S

Research Officer, Siddha Central Research Institute, Chennai.

Sathiyarajeswaran P

Director I/c, Siddha Central Research Institute, Chennai. 600 106. 

Published
2020-12-30
How to Cite
J, N., R, S., N, A., S, S. D., & P, S. (2020). In Silico Docking Analysis of Poly Herbal Formulation Aadathodai Kudineer used in Siddha medicine in inhibiting Main Protease and ACE2 Receptor Spike protein SARS-CoV-2. International Journal of Ayurvedic Medicine, 11(4), 765-772. https://doi.org/10.47552/ijam.v11i4.1713
Section
Research Articles