Substituted thiobenzoic acid S-benzyl esters as potential inhibitors of a snake venom phospholipase A 2: Synthesis, spectroscopic and computational studies

4-Chlorothiobenzoic acid S-benzyl ester (I), 3-nitrothiobenzoic acid S-benzyl ester (II), 4-nitrothiobenzoic acid S-benzyl ester (III) and 4-methylthiobenzoic acid S-benzyl ester (IV) were prepared and characterized by 1H and 13C NMR, Mass spectrometry and IR spectroscopy. Quantum chemical calculati...

Full description

Autores:

Henao Castañeda I.C.
Pereañez, Jaime Andrés
Jios J.L.

Tipo de recurso:

Article of journal

Fecha de publicación:

2012

Institución:

Universidad Cooperativa de Colombia

Repositorio:

Repositorio UCC

Idioma:

OAI Identifier:

oai:repository.ucc.edu.co:20.500.12494/41551

Acceso en línea:

https://doi.org/10.1080/00986445.2015.1074898
https://hdl.handle.net/20.500.12494/41551

Palabra clave:

Active site
As-ligands
Autodock
Computational studies
Conformational analysis
DFT calculation
Gaussians
Geometric parameter
Molecular docking
Molecular exclusion
Phospholipase A
Potential inhibitors
Quantum chemical calculations
Snake venoms
Thiobenzoic acid
Thioesters
Van Der Waals interactions
Docking
Crotalus
Crotalus durissus cumanensis

Rights

closedAccess

License

http://purl.org/coar/access_right/c_14cb