Influence of protonation on substrate and inhibitor interactions at the active site of human monoamine oxidase-A

Journal of Chemical Information and Modeling

Volumn 52, Issue 5, 2012, Pages 1213-1221

  Zapata Torres, Gerald ^a   Fierro, Angelica ^b   Miranda Rojas, Sebastian ^a   Guajardo, Carlos ^b   Saez Briones, Patricio ^c   Salgado, J Cristian ^a   Celis Barros, Cristian ^a  

^a UNIVERSITY OF CHILE   (Chile)

^b PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE   (Chile)

^c UNIVERSIDAD DE SANTIAGO DE CHILE   (Chile)

Author keywords

[No Author keywords available]

Indexed keywords

ENZYME INHIBITION; MOLECULAR DYNAMICS; PROTONATION;

DEPROTONATED FORM; DOCKING STUDIES; INHIBITOR MOLECULES; MONOAMINE OXIDASE; SPECIFIC ORIENTATION; STEERED MOLECULAR DYNAMICS; SUBSTRATE BINDING; SUBSTRATE CONVERSION;

SUBSTRATES;

AMINE OXIDASE (FLAVIN CONTAINING); MONOAMINE OXIDASE INHIBITOR; PROTON;

ARTICLE; BINDING SITE; CHEMICAL STRUCTURE; CHEMISTRY; DRUG EFFECT; ENZYME ACTIVE SITE; ENZYME SPECIFICITY; HUMAN; IC 50; MOLECULAR DYNAMICS; QUANTUM THEORY;

BINDING SITES; CATALYTIC DOMAIN; HUMANS; INHIBITORY CONCENTRATION 50; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; MONOAMINE OXIDASE; MONOAMINE OXIDASE INHIBITORS; PROTONS; QUANTUM THEORY; SUBSTRATE SPECIFICITY;

EID: 84861499101     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci300081w     Document Type: Article

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