In Silico Screening of Some Antiviral Phytochemicals as Drug Leads Against Covid-19

Abstract

<p>Background: COVID-19 caused by SARS-CoV-2 in December 2019 has become a pandemic</p><p>hazard to the community health. It is a respiratory difficulty causing fever, dry cough, fatigue,</p><p>shortness of breath, muscle aches and some instances lead to pneumonia. Coronaviruses have</p><p>large viral RNA Genomes and are single-stranded positive-sense RNA viruses. The nsp10/nsp16</p><p>protein is an important target because it is essential for the virus to replicate, the papain-like</p><p>protease (Nsp3), the main protease (Nsp5), the primary RNA-dependent RNA polymerase</p><p>(Nsp12) are also attractive drug targets for this disease. The uses of phytochemicals as</p><p>therapeutic agents have been increasing in recent years. Some antiviral phytochemicals were</p><p>taken based on literature survey for this study.</p><p>Methods: ADME parameters and drug like nature of phytochemicals were screened using</p><p>SwissADME web tool. Three dimensional structures of targets are downloaded from Protein</p><p>Data Bank and docked with phytochemicals & control by using software FlexX.</p><p>Results: Morin shows significant results in ADME screening and Drug likeness prediction</p><p>studies, it shows stable bonding pattern with all four targets in compare to other phytochemicals</p><p>and control, shows least score in docking and forms maximum number of hydrogen bonds with</p><p>the active residues of the receptors.</p><p>Conclusion: Based on present observation of docking results, ADME parameters and drug like</p><p>nature, we suggest that morin may be a potent new drug candidate against Covid-19.</p><p>Keywords: COVID-19, coronavirus, drug target, phytochemicals, Drug likeness, ADME,</p><p>docking, morin</p>