Preprint Article Version 1 Preserved in Portico This version is not peer-reviewed

Identification of Pharmacophoric Features and Novel Compounds for Inhibition of SARS-Cov-2 Main Protease

Version 1 : Received: 17 April 2020 / Approved: 19 April 2020 / Online: 19 April 2020 (05:33:03 CEST)

How to cite: Jain, P.; Dorik, R.; Jain, M. Identification of Pharmacophoric Features and Novel Compounds for Inhibition of SARS-Cov-2 Main Protease. Preprints 2020, 2020040329 (doi: 10.20944/preprints202004.0329.v1). Jain, P.; Dorik, R.; Jain, M. Identification of Pharmacophoric Features and Novel Compounds for Inhibition of SARS-Cov-2 Main Protease. Preprints 2020, 2020040329 (doi: 10.20944/preprints202004.0329.v1).

Abstract

A big race for the search for novel lead has begun due to the emergence of COVID-19 across the globe. More than 6,00,000 cases of afflicted patients worldwide has been reported till date with high mortality and morbidity. At present no approved drugs are known for COVID-19. Phylogenetic analysis present strong nucleotide sequence similarity of around 80% with SARS-CoV. Therefore, the drugs used for treating SARS-CoV and MERS are being used for SARS-CoV-2 also. Recently, the crystal structure of COVID-19 is reported and hence, we have used this tom predict the binding affinity with SARS-CoV-2-main protease and prepared a pharmacophore that may be used for future design of novel inhibitors.

Subject Areas

SARS-CoV-2; COVID-19; protease; docking; pharmacophore; Zinc15

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