Virtual high throughput screening: potential inhibitors for SARS-CoV-۲ structural and nonstructural proteins

Backgrounds: Pneumonia of unknown cause detected in Wuhan, China was first reported to theWHO Country Office in China on ۳۱ December ۲۰۱۹. The present study aimed to meet theexigent requirement of practicable COVID-۱۹ drug treatment with a computational multi-targetdrug repurposing approach.Materials and Methods: Many reports are available with in-silico drug repurposing. However,the majority of them were engrossed on a single target. In the present study, ۲۳۷۱ FDAapproved drugs screened with molecular docking approach against COVID-۱۹ protein andextracts the drug combination targeting COVID-۱۹ proteins comprehensively.Results: The study designated Elbasvir, Ledipasvir, Paritaprevir, promising drug candidates forCOVID-۱۹ treatment. The computational analysis also revealed the better potential of theproposed drug combination over the currently used drugs for COVID-۱۹ treatment.Conclusion: The anticipated drug combination is acting on both non-structural and structuralproteins therefore, it can be able to reduce the COVID-۱۹ infection process and also reduce viralmultiplication. Moreover, the drugs are safe and well-known so it can be rapidly explored furtherfor the COVID-۱۹ drug discovery process.