Molecular basis for benzimidazole resistance from a novel β-tubulin binding site model

Journal of Molecular Graphics and Modelling

Volumn 45, Issue , 2013, Pages 26-37

  Aguayo Ortiz, Rodrigo ^a   Méndez Lucio, Oscar ^a   Romo Mancillas, Antonio ^a   Castillo, Rafael ^a   Yépez Mulia, Lilián ^b   Medina Franco, José L ^c   Hernández Campos, Alicia ^a  

^a UNIVERSIDAD NACIONAL AUTÓNOMA DE MÉXICO   (Mexico)

^b INSTITUTO MEXICANO DEL SEGURO SOCIAL   (Mexico)

^c MAYO CLINIC   (United States)

Author keywords

Tubulin; Benzimidazole 2 carbamate derivatives; Docking; Homology modeling; Molecular dynamics; Resistance susceptibility

Indexed keywords

BENZIMIDAZOLE DERIVATIVES; CRYSTALLOGRAPHIC STRUCTURE; ENTAMOEBA HISTOLYTICA; HOMOLOGY MODELING; LIGAND-PROTEIN COMPLEXES; MICROTUBULE POLYMERIZATION; SINGLE-POINT MUTATION; STRUCTURAL COMPOSITION;

DOCKING; MOLECULAR DYNAMICS; PROTOZOA;

TOXIC MATERIALS;

2 BENZIMIDAZOLECARBAMIC ACID DERIVATIVE; BETA TUBULIN;

ANTIBIOTIC RESISTANCE; ARTICLE; BINDING SITE; DRUG PROTEIN BINDING; ENTAMOEBA HISTOLYTICA; GIARDIA LAMBLIA; HAEMONCHUS CONTORTUS; MOLECULAR DOCKING; MOLECULAR DYNAMICS; NONHUMAN; NUCLEOTIDE SEQUENCE; POINT MUTATION; PRIORITY JOURNAL;

BENZIMIDAZOLE-2-CARBAMATE DERIVATIVES; DOCKING; HOMOLOGY MODELING; MOLECULAR DYNAMICS; RESISTANCE/SUSCEPTIBILITY; Β-TUBULIN;

AMINO ACID MOTIFS; AMINO ACID SEQUENCE; AMINO ACID SUBSTITUTION; ANTIPARASITIC AGENTS; BENZIMIDAZOLES; BINDING SITES; DRUG RESISTANCE; HYDROGEN BONDING; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MOLECULAR DOCKING SIMULATION; MOLECULAR DYNAMICS SIMULATION; MOLECULAR SEQUENCE DATA; MOLECULAR STRUCTURE; MUTATION; PHYLOGENY; PROTEIN BINDING; SEQUENCE ALIGNMENT; TUBULIN;

EID: 84884546000     PISSN: 10933263     EISSN: 18734243     Source Type: Journal    
DOI: 10.1016/j.jmgm.2013.07.008     Document Type: Article

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