Design of Potent Inhibitors Targeting the Main Protease of SARS-CoV-2 Using QSAR Modeling, Molecular Docking, and Molecular Dynamics Simulations

Design of Potent Inhibitors Targeting the Main Protease of SARS-CoV-2 Using QSAR Modeling, Molecular Docking, and Molecular Dynamics Simulations

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infection is a serious global public health threat. The evolving strains of SARS-CoV-2 have reduced the effectiveness of vaccines. Therefore, antiviral drugs against SARS-CoV-2 are urgently needed. The main protease (Mpro) of SARS-CoV-2 is...

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Main Authors: Mehdi Oubahmane (Author), Ismail Hdoufane (Author), Christelle Delaite (Author), Adlane Sayede (Author), Driss Cherqaoui (Author), Achraf El Allali (Author)
Format: Book
Published: MDPI AG, 2023-04-01T00:00:00Z.
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