Molecular docking and molecular dynamic simulation approaches for drug development and repurposing of drugs for severe acute respiratory syndrome-Coronavirus-2

ABSTRACT: The world is witnessing the impact of deadly disease outbreaks in the form of the novel severe acute respiratory syndrome (SARS) like Coronavirus disease-2019 (COVID-19) pandemic. Since the beginning of the 21st century, we have witnessed several other disease outbreaks (e.g., SARS, H1N1, Zika virus disease, and Ebola virus epidemics), which have significantly affected our healthcare systems and socioeconomic profile. To fight against these disease outbreaks, the research and development (R&D) sectors are continuously working to develop putative therapeutic modules across the globe. In this context, computational tools further corroborated the drug design and development process. The in silico approaches particularly molecular docking and molecular dynamics simulation received considerable

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PROVIDER: S-EPMC9300476 | biostudies-literature | 2022 Jan

REPOSITORIES: biostudies-literature