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Nithyadevi Duraisamy

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Open access Aug 2026

Identification of Potential SARS-CoV-2 Main Protease (MPro) Inhibitors Through Pharmacophore Modeling, Molecular Docking, and Molecular Dynamics Simulation Approaches

The findings suggest that Lig-1, followed by Lig-3, may serve as promising computational lead compounds targeting SARS-CoV-2 MPro, representing promising candidates for further experimental validation.

Mohd Yasir Khan, Farah Maarfi, A. Shah et al. · 0 citations

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