Drug Repurposing For SARS-COV-2 Using Molecular Docking

TL;DR

This study uses molecular docking to identify Cepharanthine as a promising drug candidate for COVID-19 treatment, outperforming some existing antiviral drugs in computational analysis.

Contribution

The paper demonstrates the potential of Cepharanthine as a repurposed drug for SARS-CoV-2 using molecular docking tools, highlighting its therapeutic importance.

Findings

Cepharanthine shows better docking results than Favipiravir and Remdesivir.

Bioinformatics tools effectively identify promising drug candidates for COVID-19.

Cepharanthine may be a viable therapeutic option for managing SARS-CoV-2 infections.

Abstract

Drug repurposing is an unconventional approach that is used to investigate new therapeutic aids of existing and shelved drugs. Recent advancement in technologies and the availability of the data of genomics, proteomics, transcriptomics, etc., and with the accessibility of large and reliable database resources, there are abundantly of opportunities to discover drugs by drug repurposing in an efficient manner. The recent pandemic of SARS-COV-2, that caused the death of 6,245,750 human beings to date, has tremendously increase the exceptional usage of bioinformatics tools in interpreting the molecular characterizations of viral infections. In this paper, we have employed various bioinformatics tools such as AutoDock-Vina, PyMol etc. We have found a leading drug candidate Cepharanthine that has shown better results and effectiveness than recently used antiviral drug candidates such as Favipiravir, IDX184, Remedesivir, Ribavirin and etc. This paper has analyzed Cepharanthine potential therapeutic importance as a drug of choice in managing COVID-19 cases. It is anticipated that proposed study would be beneficial for researchers and medical practitioners in handling SARS-CoV-2 and its variant related diseases.