Identification of SARS-CoV-2 Main Protease Inhibitors Using Chemical Similarity Analysis Combined with Machine Learning

Identification of SARS-CoV-2 Main Protease Inhibitors Using Chemical Similarity Analysis Combined with Machine Learning

SARS-CoV-2 Main Protease (Mpro) is an enzyme that cleaves viral polyproteins translated from the viral genome, which is critical for viral replication. Mpro is a target for anti-SARS-CoV-2 drug development. Herein, we performed a large-scale virtual screening by comparing multiple structural descrip...

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Main Authors: Karina Eurídice Juárez-Mercado (Author), Milton Abraham Gómez-Hernández (Author), Juana Salinas-Trujano (Author), Luis Córdova-Bahena (Author), Clara Espitia (Author), Sonia Mayra Pérez-Tapia (Author), José L. Medina-Franco (Author), Marco A. Velasco-Velázquez (Author)
Format: Book
Published: MDPI AG, 2024-02-01T00:00:00Z.
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