Homology modeling, docking and molecular dynamics of the Leishmania mexicana arginase: A description of the catalytic site useful for drug design

Journal of Molecular Graphics and Modelling

Volumn 38, Issue , 2012, Pages 50-59

  Méndez Cuesta, Carlos A ^a   Méndez Lucio, Oscar ^a   Castillo, Rafael ^a  

^a UNIVERSIDAD NACIONAL AUTÓNOMA DE MÉXICO   (Mexico)

Author keywords

Arginase; Docking; Homology; Leishmania mexicana; Molecular dynamic

Indexed keywords

AMINO ACID SEQUENCE; ARGINASE; CATALYTIC SITES; COMPUTER ASSISTED; CRYSTALLOGRAPHIC STRUCTURE; DRUG DESIGN; HOMOLOGY; HOMOLOGY MODELING; HUMAN LIVER; LEISHMANIA; PARASITE; RAT LIVERS; STRUCTURAL DIFFERENCES; THREE-DIMENSIONAL STRUCTURE;

AMINO ACIDS; DESIGN; DOCKING; ENZYMES; HYDROGEN BONDS; LIGANDS; MANGANESE; PROTEINS; RATS; THREE DIMENSIONAL;

MOLECULAR DYNAMICS;

ARGINASE; BENZIMIDAZOLE DERIVATIVE; LIVER ENZYME; MANGANESE;

AMINO ACID SEQUENCE; ARTICLE; COMPLEX FORMATION; COMPUTER ANALYSIS; CONTROLLED STUDY; CRYSTALLOGRAPHY; DRUG PROTEIN BINDING; ENZYME ACTIVE SITE; ENZYME ANALYSIS; ENZYME STABILITY; ENZYME STRUCTURE; HUMAN; HYDROGEN BOND; LEISHMANIA MEXICANA; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOLECULAR MODEL; NONHUMAN; PRIORITY JOURNAL; RAT; SEQUENCE HOMOLOGY; SIMULATION;

AMINO ACID SEQUENCE; ANIMALS; ARGINASE; ARGININE; BINDING SITES; DRUG DESIGN; ENZYME INHIBITORS; HUMANS; HYDROGEN BONDING; LEISHMANIA MEXICANA; LIGANDS; LIVER; MANGANESE; MOLECULAR DOCKING SIMULATION; MOLECULAR SEQUENCE DATA; PROTOZOAN PROTEINS; RATS; SEQUENCE ALIGNMENT; SMALL MOLECULE LIBRARIES; SPECIES SPECIFICITY; STRUCTURAL HOMOLOGY, PROTEIN;

LEISHMANIA MEXICANA; RATTUS;

EID: 84867477333     PISSN: 10933263     EISSN: 18734243     Source Type: Journal    
DOI: 10.1016/j.jmgm.2012.08.003     Document Type: Article

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