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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Bibliographic Details
Main Authors: Karina Eurídice Juárez-Mercado, Milton Abraham Gómez-Hernández, Juana Salinas-Trujano, Luis Córdova-Bahena, Clara Espitia, Sonia Mayra Pérez-Tapia, José L. Medina-Franco, Marco A. Velasco-Velázquez
Format: Article
Language:English
Published: MDPI AG 2024-02-01
Series:Pharmaceuticals
Subjects:
chemoinformatics
COVID-19
SARS-CoV-2
Mpro
3CLpro
virtual screening
Online Access:https://www.mdpi.com/1424-8247/17/2/240

Internet

https://www.mdpi.com/1424-8247/17/2/240

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