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Drug Repurposing of Allophenylnorstatine Containing HIV-Protease Inhibitors Against SARS-CoV-2 Mpro: Insights from Molecular Dynamics Simulations and Binding Free Energy Estimations

2020-06-02

Abstract excerpt

Coronavirus-2 Main protease (SARS-CoV-2 M pro ), one of the most vital enzymes of the new coronavirus-2 (SARS-CoV-2) and a crucial target for drug discovery, has been battered with numerous types of drugs/inhibitors. Regrettably, till date there is no any potential drugs or effective inhibitors available to combat its action. Based on the reports of HIV-protease inhibitors can be applied against the SARS by targe...

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Literature Corpus work
a51382dc-eb5e-55df-922f-4a8bf770a305
DOI
10.26434/chemrxiv.12402545.v1
Open publication

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Drug Repurposing of Allophenylnorstatine Containing HIV-Protease Inhibitors Against SARS-CoV-2 Mpro: Insights from Molecular Dynamics Simulations and Binding Free Energy EstimationsDOI 10.26434/chemrxiv.12402545.v1
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