Abstract

ANAND, Vandita; SRIVASTAVA, Saumya  and  PANDEY, Anjana. In-silico Studies of Phytochemicals of Ashwagandha, Harsingar, Meethi neem and Tulsi Against Covid-19. J. Mex. Chem. Soc [online]. 2022, vol.66, n.2, pp.181-197.  Epub Dec 05, 2022. ISSN 1870-249X.  https://doi.org/10.29356/jmcs.v66i2.1643.

The ongoing coronavirus disease 2019 (COVID-19) has become a global pandemic and risk to the healthcare system of almost every nation around the world. The endocytic pathway has been considered as a key factor in viral infection. In the case of CoVs, several investigations have shown that these viruses mainly follow the clathrin-mediated endocytic pathway. As a result, inhibiting the clathrin-mediated endocytic pathway might be a useful therapeutic approach. In this study, bioactive components of Harsingar, Meethi neem, Tulsi and Ashwagandha extract was analyzed by HR-LCMS and among them 55 phytochemical compounds were selected based on antiviral and steroidal properties. 55 phytochemical compounds of four Indian herbal plants were used to analyze their binding with clathrin protein associated with COVID -19. Based on the molecular docking as well as ADMET analysis, Ashwagandha, Harsingar, Meethi neem and Tulsi were identified as potential herbal medicine candidates. We have found that the inhibition potentials of the Ashwagandha, Harsingar, Meethi neem and Tulsi are very promising with no side effects.

Keywords : COVID-19; SARS-CoV-2; Indian herbal plants; phytochemical compounds; docking; ADMET analysis.