Exploring the Catalytic Mechanism of the RNA Cap Modification by nsp16-nsp10 Complex of SARS-CoV-2 through a QM/MM Approach

Exploring the Catalytic Mechanism of the RNA Cap Modification by nsp16-nsp10 Complex of SARS-CoV-2 through a QM/MM Approach

The inhibition of key enzymes that may contain the viral replication of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) have assumed central importance in drug discovery projects. Nonstructural proteins (nsps) are essential for RNA capping and coronavirus replication since it protects t...

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Bibliographic Details
Main Authors: José Rogério A. Silva, Jaime Urban, Edson Araújo, Jerônimo Lameira, Vicent Moliner, Cláudio Nahum Alves
Format: Article
Language:English
Published: MDPI AG 2021-12-01
Series:International Journal of Molecular Sciences
Subjects:
SARS-CoV-2
nsp16-nsp10
2′-<i>O</i> methylation
catalytic mechanism
QM/MM
TS stabilization
Online Access:https://www.mdpi.com/1422-0067/23/1/300

Internet

https://www.mdpi.com/1422-0067/23/1/300

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