Structural insights from binding poses of CCR2 and CCR5 with clinically important antagonists: A combined in silico study

PLoS ONE

Volumn 7, Issue 3, 2012, Pages

  Kothandan, Gugan ^a   Gadhe, Changdev G ^a   Cho, Seung Joo ^a  

^a Chosun University   (South Korea)

Author keywords

[No Author keywords available]

Indexed keywords

4 [(4 BROMOPHENYL)(ETHOXYIMINO)METHYL] 1' [(2,4 DIMETHYL 3 PYRIDINYL)CARBONYL] 4' METHYL 1,4' BIPIPERIDINE; BETA 2 ADRENERGIC RECEPTOR; CHEMOKINE RECEPTOR CCR2; CHEMOKINE RECEPTOR CCR2 ANTAGONIST; CHEMOKINE RECEPTOR CCR5; CHEMOKINE RECEPTOR CCR5 ANTAGONIST; GLUTAMIC ACID; MARAVIROC; N [4 [[[6,7 DIHYDRO 2 (4 METHYLPHENYL) 5H BENZOCYCLOHEPTEN 8 YL]CARBONYL]AMINO]BENZYL] N,N DIMETHYL 2H TETRAHYDROPYRAN 4 AMINIUM CHLORIDE; RHODOPSIN; RS 504393; TEIJIN; UNCLASSIFIED DRUG; VICRIVIROC; BENZAMIDE DERIVATIVE; CYCLOHEXANE DERIVATIVE; N (CARBAMOYLMETHYL) 3 TRIFLUOROMETHYL BENZAMIDO 4 CHLOROBENZYL 3 AMINOPYRROLIDINE; N-(CARBAMOYLMETHYL)-3-TRIFLUOROMETHYL BENZAMIDO-4-CHLOROBENZYL 3-AMINOPYRROLIDINE; PYRROLIDINE DERIVATIVE; TRIAZOLE DERIVATIVE;

ACIDITY; ARTICLE; BINDING SITE; CHEMICAL INTERACTION; COMPUTER MODEL; COMPUTER PROGRAM; CRYSTAL STRUCTURE; DRUG DESIGN; DRUG STRUCTURE; MOLECULAR DOCKING; MOLECULAR DYNAMICS; NUCLEOTIDE SEQUENCE; RECEPTOR BINDING; STRUCTURAL HOMOLOGY; X RAY CRYSTALLOGRAPHY; AMINO ACID SEQUENCE; CHEMICAL STRUCTURE; CHEMISTRY; GENETICS; HUMAN; METABOLISM; MOLECULAR GENETICS; PROTEIN BINDING; PROTEIN TERTIARY STRUCTURE; SEQUENCE HOMOLOGY;

BOVINAE;

AMINO ACID SEQUENCE; BENZAMIDES; BINDING SITES; CYCLOHEXANES; GLUTAMIC ACID; HUMANS; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; MOLECULAR SEQUENCE DATA; MOLECULAR STRUCTURE; PROTEIN BINDING; PROTEIN STRUCTURE, TERTIARY; PYRROLIDINES; RECEPTORS, CCR2; RECEPTORS, CCR5; SEQUENCE HOMOLOGY, AMINO ACID; TRIAZOLES;

EID: 84858992910     PISSN: None     EISSN: 19326203     Source Type: Journal    
DOI: 10.1371/journal.pone.0032864     Document Type: Article

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