Magical bullets from an indigenous Indian medicinal plant Tinospora cordifolia: An in silico approach for the antidote of SARS-CoV-2

Thakkar, Sampark S.; Shelat, Foram; Thakor, Parth

World Health Organization declared COVID-19 as a global pandemic. A diverse array of drugs failed to combat. There is an immense need for novel lead molecules. Medicinal plants are the reservoir of secondary metabolites. In silico approach has been carried out to dock the ligands (various secondary metabolites from Tinospora cordifolia) to the target (SARS-CoV-2 main protease) and compared its efficacy against standard drugs (Azithromycin, Chloroquine, Hydroxychloroquine, Favipiravir, Remdesivir). In silico molecular docking approach provides insight into the screened molecules that might prove to be an effective inhibitor for SARS-CoV-2. Out of five standard drug molecules, two widely used antiviral drugs (Favipiravir and Remdesivir) are ascribed as the most potent molecules based on their highest docking score in the present study. Columbin, Tinosporide, N-trans-feruloyl-tyramine-diacetate, Amritoside C, Amritoside B, Amritoside A, Tinocordifolin, Palmatoside G, Palmatoside F, and Maslinic acids are other molecules considered to be the key molecules based on their docking score (range between -5.718 to -5.020).