Activity of Phytochemical Constituents of Curcuma longa (Turmeric) Against SARS-CoV- 2 Main Protease (Covid19): Anin-Silico Approach.

In early 2020, many scientists are rushing to discover novel drugs and vaccines against the coronavirus, and treatments for COVID-19, because, Coronavirus Disease 2019 (COVID-19), a life-threatening viral disease which is caused by SARS-CoV2, affected first in china and quickly spread throughout the world. According to the WHO data, as on May 2020, there are more than 60 lakhs peoples in the world affected by COVID19, out of these more than 3.7 lakhs peoples are died. So in this emergency situation, it is very difficult to discover novel drugs with all clinical trials and also determine the side effects, adverse effects etc. So, It is important to treat with some natural remedies which are using regularly in our diet like Curcuma longa (Turmeric)for COVID19. In this article, in-silico studies have been performed to explore the binding modes of chemical constituents for natural remedies like Curcuma longa (Turmeric)against COVID19 main protease (PDB id - 5R82) targeting corona virususing Schrodinger suit 2019-4. The molecular docking studies are performed by Glide module, in-silico ADMET screening was performed by qik prop module and, binding energy of ligands was calculated using PRIME MMGB/SA module. The chemical constituents from turmeric like Cyclocurcumin, Curcumin are significantly active against COVID19 with Glide score more than -6 when compared to currently used drug Hydroxychloroquine (-5.47). The docking results of the compounds exhibited similar mode of interactions with COVID19 and the residues THR24, THR25, THR26, LEU27, SER46, MET49, HIE41, GLN189, ARG188, ASP187, MET165, HIE164, PHE181 and THR54 play a crucial role in binding with ligands. In conclusion, the chemical constituents from turmeric like Cyclocurcumin, Curcumin are significantly active against COVID19 and used for further development. [ABSTRACT FROM AUTHOR]