Binding modes of CCR5-targetting HIV entry inhibitors: Partial and full antagonists

Journal of Molecular Graphics and Modelling

Volumn 26, Issue 8, 2008, Pages 1287-1295

  Wang, Ting ^a   Duan, Yong ^a  

^a Genome Center   (United States)

Author keywords

Antagonists; CC chemokine receptor 5 (CCR5); Flexible docking; HIV entry inhibitors; Molecular dynamics simulation

Indexed keywords

BINDING ENERGY; PATIENT MONITORING; PHOSPHOLIPIDS; REACTION KINETICS; TOXICITY;

PHOSPHOLIPID BILAYERS; TRANSMEMBRANE HELIX BUNDLE;

VIRUSES;

4 [(4 BROMOPHENYL)(ETHOXYIMINO)METHYL] 1' [(2,4 DIMETHYL 3 PYRIDINYL)CARBONYL] 4' METHYL 1,4' BIPIPERIDINE; ANTI HUMAN IMMUNODEFICIENCY VIRUS AGENT; APLAVIROC; CHEMOKINE; CHEMOKINE RECEPTOR; CHEMOKINE RECEPTOR CCR5 ANTAGONIST; LIGAND;

AMINO ACID SEQUENCE; ARTICLE; DRUG BINDING; DRUG DESIGN; HOST CELL; MOLECULAR DOCKING; PHOSPHOLIPID BILAYER; PRIORITY JOURNAL; RECEPTOR AFFINITY; SOLVATION;

AMINO ACID SEQUENCE; COMPUTER SIMULATION; HIV FUSION INHIBITORS; HUMANS; LIPID BILAYERS; MODELS, MOLECULAR; MOLECULAR SEQUENCE DATA; MOLECULAR STRUCTURE; PHOSPHOLIPIDS; PROTEIN BINDING; RECEPTORS, CCR5;

HUMAN IMMUNODEFICIENCY VIRUS 1;

EID: 43049147574     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2007.12.003     Document Type: Article

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