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Author

Tarun Kumar Upadhyay

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Open access Jul 2026

Computational identification of novel antiviral leads against SARS-CoV-2 Mpro through systematic virtual screening and molecular dynamics study

The study identifies LY2784544 and Pimobendan as potential antiviral agents for Mpro, given their stability, strong binding energy (BE) profiles, and existing clinical data, these compounds warrant additional experimental validation to determine their potential efficacy against SARS-CoV-2.

M. Alam, Lina I. Alnajjar, Tarun Kumar Upadhyay et al. · 0 citations

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