New Frontiers in Communication and Intelligent Systems
Curdlan Sulfate as a Novel Inhibitor for SARS-CoV-2 (COVID – 19): A Molecular Docking Study using Computational Tools
Authors: P. Bazeera Ferdhous, P. S. Gowtham and B. Vanavil
Publishing Date: 06-05-2022
ISBN: 978-81-95502-00-4
Abstract
COVID-19 caused by SARS-CoV-2 affected almost 2.7 million populations over worldwide. Hence there is an immediate need for a potential antiviral agent against COVID-19. Previous studies reported that curdlan sulfate has an extensive array of biological properties and has been recommended for the treatment of diseases like malaria, HIV, dengue, etc. Bioinformatics tools have positively impacted coronavirus research and have been fruitfully employed for unraveling the viral genomics and genome wide association studies, detection of SARS-CoV-2 infection, outlining of the COVID-19 pandemic, evolution of coronavirus, discovery of vaccine candidates, exploration of prospective drug targets, and development of therapeutic stratagems. Thus, the current study focuses on investigating the inhibiting property of curdlan sulfate against COVID-19 using a computational approach. AutoDock Vina was employed for molecular docking of receptor binding domains of SARS-CoV-2. Binding affinity was confirmed based on the lowest binding free energy. Docking results showed that curdlan sulfate possesses a high binding affinity with the receptor binding domain of SARS-CoV-2. The molecular interactions between these drug candidates and receptor binding domain were studied. Subsequent experiments will reveal the stability of the targets and potential drug candidates. Hence this study will help in exploiting curdlan sulfate as an efficient antiviral therapeutic mediator for SARS-CoV-2.
Keywords
COVID-19, Inhibitors, Drug Discovery, Bioinformatics, Curdlan Sulfate.
Cite as
P. Bazeera Ferdhous, P. S. Gowtham and B. Vanavil, "Curdlan Sulfate as a Novel Inhibitor for SARS-CoV-2 (COVID – 19): A Molecular Docking Study using Computational Tools", In: Rahul Srivastava and Aditya Kr. Singh Pundir (eds), New Frontiers in Communication and Intelligent Systems, SCRS, India, 2022, pp. 507-516. https://doi.org/10.52458/978-81-95502-00-4-52