Modelling and study of cyclosporin A and related compounds in complexes with a Trypanosoma cruzi cyclophilin

Journal of Molecular Graphics and Modelling

Volumn 26, Issue 1, 2007, Pages 48-61

  Carraro, Roberto ^a   Búa, Jacqueline ^b   Ruiz, Andrés ^b   Paulino, Margot ^a  

^a UNIVERSIDAD DE LA REPÚBLICA   (Uruguay)

^b Administracion Nacional de Laboratorios E Institutos de Salud Dr Carlos G Malbran   (Argentina)

Author keywords

Chagas' disease chemotherapy; Cyclophilins; Cyclosporin A analogues; Molecular dynamic simulations; Molecular modelling; Trypanosoma cruzi

Indexed keywords

CHAGAS' DISEASE CHEMOTHERAPY; CYCLOPHILINS; MOLECULAR MODELLING; TRYPANOSOMA CRUZI;

COMPUTER SIMULATION; CORRELATION METHODS; ISOMERIZATION; MOLECULAR DYNAMICS; PROTEIN FOLDING;

ENZYME ACTIVITY;

CYCLOPHILIN; CYCLOSPORIN A; CYCLOSPORIN A DERIVATIVE; F 7 62; H 7 94; ISOENZYME; UNCLASSIFIED DRUG;

ARTICLE; COMPUTER PROGRAM; COMPUTER SIMULATION; ENZYME INHIBITION; ENZYME INHIBITOR INTERACTION; HYDROGEN BOND; INHIBITION KINETICS; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOLECULAR MODEL; PRIORITY JOURNAL; TRYPANOSOMA CRUZI;

AMINO ACID SEQUENCE; ANIMALS; BINDING SITES; COMPUTER GRAPHICS; COMPUTER SIMULATION; CYCLOPHILINS; CYCLOSPORINE; HYDROGEN BONDING; LIGANDS; MACROMOLECULAR SUBSTANCES; MODELS, MOLECULAR; MOLECULAR SEQUENCE DATA; PROTEIN STRUCTURE, SECONDARY; PROTOZOAN PROTEINS; SEQUENCE HOMOLOGY, AMINO ACID; SOFTWARE; THERMODYNAMICS; TRYPANOCIDAL AGENTS; TRYPANOSOMA CRUZI;

TRYPANOSOMA CRUZI;

EID: 34347257408     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2006.09.008     Document Type: Article

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