Drug Repurposing for CoVID-19 Spike Protein through Molecular Docking

ABSTRACT

Drug repurposing is the technique of finding new uses for currently used or under-researched drugs. Because this strategy requires less time and money, it is thought to be a particularly effective drug development strategy. Due to current technological breakthroughs, the accessibility of vast and reliable database resources, as well as data accessibility from genomes, proteomics, transcriptomics, etc., there are numerous opportunities to identify drugs by drug repurposing. The recent SARS-COV-2 epidemic, which has so far claimed 6,245,750 lives, has significantly increased the use of bioinformatics techniques in deciphering the characteristics of viral diseases. Using FDA-approved antiviral drugs that target the COVID-19 spike protein, we have used a bioinformatics approach to drug repurposing to find possible effective inhibitors against the Coronavirus (COVID-19). We used a variety of bioinformatics tools in this study, including AutoDock-Vina, PyMol, and Discovery Studio, to identify a promising drug called Cepharanthine (CEP), which demonstrates successful outcomes and efficacy compared to recently used antiviral drug candidates like arbidol, talampicillin, bromhexine, chloroquine, lycorine, bruceine A, reserpine, indinavir, galidesiver, doxycycline, methisazone, flupentixol, trifluoperazine and fluoxetine. The potential therapeutic value of cepharanthine as a drug for treating COVID-19 has been investigated in this study. It is expected that the proposed study will help medical professionals and researchers cure disorders linked to Severe acute respiratory and variations of it. © 2022 IEEE.