Structural and in silico studies of 2-pyridyl-decorated 2-amino-1,3,5-triazine with a potency against SARS-CoV-2 proteins

Structural and in silico studies of 2-pyridyl-decorated 2-amino-1,3,5-triazine with a potency against SARS-CoV-2 proteins

Computational studies of 2-amino-4,6-bis(2-pyridyl)-1,3,5-triazine (NH2Py2T), which is of interest both as a ligand for coordination chemistry and as a precursor for further functionalization due to the presence of the NH2 functionality, are reported. Three isomeric structures were considered. Descr...

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Bibliographic Details
Main Author: Safin, Damir A.
Format: Article
Language:English
Published: Académie des sciences 2024-06-01
Series:Comptes Rendus. Chimie
Subjects:
Triazine
Pyridine
Computational study
Molecular docking
Molecular dynamics
DFT
COVID-19
Online Access:https://comptes-rendus.academie-sciences.fr/chimie/articles/10.5802/crchim.290/
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