SciTech Central COVID-19
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Accepted Abstracts

Molecular Docking and Molecular Dynamics to Study the Binding Mode of Some Natural Products to a Receptor of COVID-19

Souhila Bouaziz-Terrachet*
University of Mohamed Bouguerra,Algeria
University of Science and Technology Houari Boumédiène, Algeria

Citation: Bouaziz-Terrachet S (2020) Molecular Docking and Molecular Dynamics to Study the Binding Mode of Some Natural Products to a Receptor of COVID-19. SciTech Central COVID-19

Received: June 08, 2020         Accepted: June 24, 2020         Published: June 24, 2020

Abstract

Coronavirus disease 2019 (COVID-19), also called severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), is a communicable respiratory disease caused by a new strain of coronavirus that causes illness in human. People in the world urgently need effective drugs for this disease. However, the quickest way to find one is to test drugs that have worked against other virus (such as hepatitis C or Ebola) perhaps one of them will also work against COVID-19. One other way to find quickly safe drugs is to explore the active compounds extracted from medicinal plant such as artemisia annua which has been used successfully against this disease. In the present study, we used molecular docking approach to study the binding mode and binding interaction of some natural products with angiotensin-converting enzyme (ACE-2), which acts as a receptor for the virus that causes COVID-19. The best docked conformation of each complex was submitted to 50 ns of molecular dynamics simulations. The results indicated a stable binding of the studied compounds to ACE-2 protein, characterized by Root Mean Square Deviation (RMSD), Root Mean Square Fluctuation (RMSF) and hydrogen bond.