Interaction of copper potential metallodrugs with TMPRSS2: A comparative study of docking tools and its implications on COVID-19

Interaction of copper potential metallodrugs with TMPRSS2: A comparative study of docking tools and its implications on COVID-19

SARS-CoV-2 is the virus responsible for the COVID-19 pandemic. For the virus to enter the host cell, its spike (S) protein binds to the ACE2 receptor, and the transmembrane protease serine 2 (TMPRSS2) cleaves the binding for the fusion. As part of the research on COVID-19 treatments, several Casiope...

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Bibliographic Details
Main Authors: Sergio Vazquez-Rodriguez, Diego Ramírez-Contreras, Lisset Noriega, Amalia García-García, Brenda L. Sánchez-Gaytán, Francisco J. Melendez, María Eugenia Castro, Walter Filgueira de Azevedo, Enrique González-Vergara
Format: Article
Language:English
Published: Frontiers Media S.A. 2023-01-01
Series:Frontiers in Chemistry
Subjects:
TMPRSS2
COVID-19
molecular docking
Casiopeina-like metallodrugs
copper
DFT
Online Access:https://www.frontiersin.org/articles/10.3389/fchem.2023.1128859/full

Internet

https://www.frontiersin.org/articles/10.3389/fchem.2023.1128859/full

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