Computational analysis of the structural mechanism of inhibition of chemokine receptor CXCR4 by small molecule antagonists

Experimental Biology and Medicine

Volumn 236, Issue 7, 2011, Pages 844-850

  Kawatkar, Sameer P ^a,c   Yan, Maocai ^b,d   Gevariya, Harsukh ^a   Lim, Mi Youn ^a   Eisold, Steven ^a   Zhu, Xuejun ^b,e   Huang, Ziwei ^b,f   An, Jing ^b,f  

^a Chemokine Pharmaceutical Inc   (United States)

^b BURNHAM INSTITUTE   (United States)

^c ASTRAZENECA   (United Kingdom)

^d UNIVERSITY OF SOUTHERN CALIFORNIA   (United States)

^e TSINGHUA UNIVERSITY   (China)

^f State University of New York Upstate Medical University: College of Medicine   (United States)

Author keywords

Chemokine receptors; CXCR4 antagonists; CXCR4 structure; HIV; Molecular docking

Indexed keywords

8 [(4 AMINOBUTYL)(2 BENZIMIDAZOLYLMETHYL)AMINO] 1,2,3,4 TETRAHYDROQUINOLINE; ASPARTIC ACID; CHEMOKINE RECEPTOR CXCR4; CHEMOKINE RECEPTOR CXCR4 ANTAGONIST; DEXTRO AMINO ACID; FC 131; GLUTAMIC ACID; KRH 1636; PLERIXAFOR; STROMAL CELL DERIVED FACTOR 1ALPHA; UNCLASSIFIED DRUG;

AMINO ACID SEQUENCE; ARTICLE; BINDING SITE; HUMAN; INHIBITION KINETICS; LIGAND BINDING; MOLECULAR DOCKING; MUTAGENESIS; PROTEIN STRUCTURE; RECEPTOR BINDING;

AMINO ACID SEQUENCE; ANTI-HIV AGENTS; IMMUNOLOGIC FACTORS; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; MOLECULAR SEQUENCE DATA; PROTEIN BINDING; RECEPTORS, CXCR4;

EID: 79960691527     PISSN: 15353702     EISSN: 15353699     Source Type: Journal    
DOI: 10.1258/ebm.2011.010345     Document Type: Article

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