A newly synthesized 6-methyl-7H,8H,9H-[1,2,4]triazolo[4,3-b][1,2,4]triazepin-8-one for potential inhibitor of adenosine A1 receptor: a combined experimental and computational studies

Youness El Bakri,Subramani Karthikeyan,El Hassane Anouar,J. Sebhaoui,Abdelkader Ben Ali,Lhoussaine El Ghayati,El Mokhtar Essassi,Joel T. Mague

A newly synthesized 6-methyl-7H,8H,9H-[1,2,4]triazolo[4,3-b][1,2,4]triazepin-8-one for potential inhibitor of adenosine A1 receptor: a combined experimental and computational studies

2019

Youness El Bakri
Subramani Karthikeyan
El Hassane Anouar
J. Sebhaoui
Abdelkader Ben Ali
Lhoussaine El Ghayati
El Mokhtar Essassi
Joel T. Mague

Abstract6-Methyl-7H,8H,9H-[1,2,4]triazolo[4,3-b][1,2,4]triazepin-8-onehas been synthesized, characterized by spectroscopic techniques (FT-IR, 1H and 13C NMR) and finally the structure was confirmed...

Keywords:

Biochemistry
Docking (molecular)
Carbon-13 NMR
Molecular dynamics
Stereochemistry
Adenosine A1 receptor
Crystal structure
Chemistry
Crystallography
Molecule
Hydrogen bond
Active site
Density functional theory

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