Molecular docking of a series of peptidomimetics in the trypanothione binding site of T. cruzi Trypanothione Reductase

Journal of Molecular Graphics and Modelling

Volumn 28, Issue 4, 2009, Pages 330-335

  da Rocha Pita, Samuel Silva ^a   Cirino, José Jair Vianna ^a   de Alencastro, Ricardo Bicca ^a   Castro, Helena Carla ^b   Rodrigues, Carlos Rangel ^a   Albuquerque, Magaly Girão ^a  

^a FEDERAL UNIVERSITY OF RIO DE JANEIRO   (Brazil)

^b FLUMINENSE FEDERAL UNIVERSITY   (Brazil)

Author keywords

Chagas' disease; Docking; FlexX; Peptidomimetic; Trypanothione Reductase

Indexed keywords

BINDING MODES; CHAGAS' DISEASE; COMPETITIVE INHIBITION; DRUG CANDIDATES; FLEXX; MOLECULAR DOCKING; NEW CHEMICAL ENTITIES; PEPTIDOMIMETIC; PEPTIDOMIMETICS; SIDE EFFECT; SOUTH AMERICA; TR BINDING; TRYPANOSOMA CRUZI; TRYPANOTHIONE; TRYPANOTHIONE REDUCTASE;

BINDING ENERGY; DOCKING; ENZYME ACTIVITY; LEAD COMPOUNDS; SULFUR COMPOUNDS;

BINDING SITES;

BENZOYL ARGININE 4 NITROANILIDE; BENZOYL GLYCYLARGINYLARGINYLLEUCINE BETA NAPHTYLAMIDE; BENZOYL LEUCYLARGINYLARGININE BETA NAPHTYLAMIDE; BENZOYL LYSYLPHENYLALANYLARGININE 4 NITROANILIDE; BENZOYL PHENYLALANYLVALYLARGININE 7 AMIDE 4 METHYLCOUMARIN; BENZYLOXYCARBONYL ALANYLARGINYLARGININE 4 METHOXY BETA NAPHTYLAMIDE; BENZYLOXYCARBONYL ARGININE 4 NITROANILIDE; BENZYLOXYCARBONYL ARGINYLARGININE 4 METHOXY BETA NAPHTYLAMIDE; BENZYLOXYCARBONYL ARGINYLARGININE 4 NITROANILIDE; BENZYLOXYCARBONYL GLYCYLGLYCYLARGININE 7 AMIDE METHYLCOUMARIN; BENZYLOXYCARBONYL LYSINE 4 METHOXY BETA NAPHTYLAMIDE; PEPTIDOMIMETIC AGENT; TERT BUTYL LEUCYLARGINYLARGININE 7 AMIDE METHYLCOUMARIN; TERT BUTYL LEUCYLLEUCYLARGININE 7 AMIDE METHYLCOUMARIN; TRYPANOTHIONE REDUCTASE; UNCLASSIFIED DRUG;

ALGORITHM; ARTICLE; BINDING SITE; CHAGAS DISEASE; DRUG BINDING; MOLECULAR DOCKING; PRIORITY JOURNAL; TRYPANOSOMA CRUZI;

AMINO ACID SEQUENCE; ANIMALS; BINDING SITES; GLUTATHIONE; MODELS, MOLECULAR; MOLECULAR MIMICRY; MOLECULAR SEQUENCE DATA; NADH, NADPH OXIDOREDUCTASES; PEPTIDES; PROTEIN STRUCTURE, SECONDARY; SPERMIDINE; TRYPANOSOMA CRUZI;

TRYPANOSOMA CRUZI;

EID: 70350757638     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2009.08.011     Document Type: Article

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