1 Revealing SARS-Cov-2 Functional Druggability Through Multi-Target
Preprints (www.preprints.org) | NOT PEER-REVIEWED | Posted: 11 May 2020 doi:10.20944/preprints202005.0199.v1 Revealing SARS-CoV-2 Functional Druggability Through Multi-Target Cadd Screening of Repurposable Drugs Yash Gupta1,2, Dawid Maciorowski1,3, Raman Mathur1, Catherine M Pearce1, David J. IIc1,3, Hamza Husein1,3, Ajay Bharti4, Daniel P. Becker3, Brijesh Rathi2,5, Steven B Bradfute6, Ravi Durvasula1,2, Prakasha Kempaiah1,2* 1 Loyola University Chicago Stritch School of Medicine, Chicago, IL, 60153, USA; 2 Department of Medicine, Loyola University Medical Center, Chicago, IL, 60153, USA; 3 Loyola University Chicago, Chicago, IL, USA; 4 Division of Infectious Diseases, Department of Medicine, University of California, San Diego, CA, 92093, USA, 5 Laboratory for Translational Chemistry and Drug Discovery, Hansraj College, University of Delhi, India; 6 Center for Global Health, Division of Infectious Diseases, Department of Internal Medicine, University of New Mexico, Albuquerque, New Mexico, USA. Number of Tables: 10; Number of Figures: 16 ABSTRACT: The emergence of SARS/MERS drug resistant COVID-19 with high transmission and mortality has recently been declared a deadly pandemic causing economic chaos and significant health problems. Like all coronaviruses, SARS-CoV-2 is a large virus that has many druggable components within its proteome. In this study, we focused on repurposing approved and investigational drugs by identifying potential drugs that are predicted to effectively inhibit critical enzymes within SARS-CoV-2. We shortlisted seven target proteins with enzymatic activities known to be essential at different stages of the virus life cycle. For virtual screening, the energy minimization of a crystal structure or modeled protein was carried out using Protein Preparation Wizard (Schrödinger LLC, 2020-1).
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