Preprint Article Version 1 Preserved in Portico This version is not peer-reviewed

Potential Phytochemicals as Efficient Protease Inhibitors of 2019-nCoV

Version 1 : Received: 14 April 2020 / Approved: 15 April 2020 / Online: 15 April 2020 (10:00:52 CEST)

How to cite: Ranjan, A.; Chauhan, A.; Gurnani, M.; Jindal, T. Potential Phytochemicals as Efficient Protease Inhibitors of 2019-nCoV . Preprints 2020, 2020040240 (doi: 10.20944/preprints202004.0240.v1). Ranjan, A.; Chauhan, A.; Gurnani, M.; Jindal, T. Potential Phytochemicals as Efficient Protease Inhibitors of 2019-nCoV . Preprints 2020, 2020040240 (doi: 10.20944/preprints202004.0240.v1).

Abstract

The novel coronavirus 2019 (nCov-2019/Covid-2019/2019-nCov) has become a pandemic in a very short span of time. It has caused significant loss to human lives, economy, daily life. The key development against the nCov-2019 remains apprehended when it comes to discovery of its vaccine or medicines for the treatment. Drugs used for the treatment of HIV ( inhibitors of HIV protease) are being largely used for the treatment of nCov-2019. Therefore, we conducted a study by docking a set of natural compounds with reported protease activity against HIV or SARS coronavirus against the protease of nCov-2019. The Bavachinin ranked the top among natural compounds with binding energy of -7.74±0.152 Kcal/mol, RMSD 0.823±0.024 Å, predicted pKd 5.59 and predicted dG of -7.56 Kcal/mol. The finding infers that these three compounds could have the potential to inhibit the nCov-2019 protease. The finding was supported with reputed research publications.

Subject Areas

COVID19 ; 2019-nCov, 3CLpro inhbitors

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