Applying in silico tools to the discovery of novel CXCR4 inhibitors

Drug Development Research

Volumn 72, Issue 1, 2011, Pages 95-111

  Pérez Nueno, Violeta I ^a   Ritchie, David W ^a  

^a LORIA   (France)

Author keywords

CXCR4 CCR5 inhibitors; De novo design; Docking; GPCRs; HIV; Homology modelling; Pharmacophore; QSAR; Shape matching; Similarity search; Virtual screening

Indexed keywords

CHEMOKINE RECEPTOR CXCR4; CHEMOKINE RECEPTOR CXCR4 ANTAGONIST; CYCLAM AMINE DERIVATIVE; DIAMINE DERIVATIVE; DIPICOLIL AMINE ZINC COMPLEX; G PROTEIN COUPLED RECEPTOR; KRH 1636; MACROCYCLIC COMPOUND; PEPTIDE DERIVATIVE; PEPTIDOMIMETIC AGENT; PHENANTHROLINE DERIVATIVE; PLERIXAFOR; PSEUDOTHIOUREA DERIVATIVE; PYRIMIDINE DERIVATIVE; TETRAHYDROQUINOLINAMINE DERIVATIVE; UNCLASSIFIED DRUG;

AMINO ACID SUBSTITUTION; COMPUTER MODEL; CRYSTAL STRUCTURE; DRUG BINDING SITE; DRUG CONFORMATION; DRUG DESIGN; DRUG PROTEIN BINDING; DRUG SCREENING; DRUG STRUCTURE; HUMAN IMMUNODEFICIENCY VIRUS; MOLECULAR DYNAMICS; PHARMACOPHORE; QUANTITATIVE STRUCTURE ACTIVITY RELATION; REVIEW; SIGNAL TRANSDUCTION; VIRUS ENTRY;

EID: 79951801947     PISSN: 02724391     EISSN: 10982299     Source Type: Journal    
DOI: 10.1002/ddr.20406     Document Type: Review

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