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Potential Phytopharmaceutical Constituents of Solanum Trilobatum L. as Significant Inhibitors Against COVID-19: Robust-Binding Mode of Inhibition by Molecular Docking, PASS-Aid Bioactivity and ADMET Investigations

preprint
revised on 12.08.2020 and posted on 12.08.2020 by Shanmugam Anandakumar, Damodharan Kannan, Eugene Wilson, Kasthuri Bai Narayanan, Ganesan Suresh, Kadarkarai Kanakavalli, Muthu Tamizh Manoharan
The novel coronavirus is better known as COVID–19 caused by Severe Acute Respiratory Syndrome Corona–Virus 2 (SARS–CoV–2) which initially outburst at Wuhan in China on December 2019 and spread very rapidly around the globe. Scientists from the global regions endeavours to still probe for detecting potential treatment and discover effective therapeutic drug candidates for this unabated pandemic. In our article, we reported the molecular docking, bioactivity score, ADME and toxicity prediction of the phytoconstituents of Solanum trilobatum Linn. such as Solanidine, Solasodine and a–Solanine as potential inhibitors against the main protease (Mpro) of SARS–CoV–2 tropism. The molecular docking of Solanidine, Solasodine and a–Solanine has revealed that it bounded deep into the active cavity site on the Mpro. Further, the pharmacodynamics and bioactivity profile has confirmed that the molecules obeyed the Lipinski’s rule and will be used as notably treasured lead drug candidates to pursue further biochemical and cell–based assays to explore its potential against COVID–19 pandemic. Thus, envisioning thought–provoking research certainly provide new leads for the global researchers.

History

Email Address of Submitting Author

m.muthutamizh@gov.in

Institution

Siddha Central Research Institute

Country

India

ORCID For Submitting Author

0000-0002-0673-5177

Declaration of Conflict of Interest

No potential conflict of interest was reported by the author(s)

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