Modeling the molecular basis for α4β1 integrin antagonism

Bioorganic and Medicinal Chemistry

Volumn 19, Issue 19, 2011, Pages 5903-5911

  Hutt, Oliver E ^a   Saubern, Simon ^a   Winkler, David A ^a,b  

^a CSIRO   (Australia)

^b MONASH UNIVERSITY   (Australia)

Author keywords

Antagonism; Integrin 4 1; Molecular field analysis; QSAR

Indexed keywords

AGENTS INTERACTING WITH TRANSMITTER, HORMONE OR DRUG RECEPTORS; ALPHA2B BETA3 INTEGRIN; INTEGRIN; UNCLASSIFIED DRUG; VASCULAR CELL ADHESION MOLECULE 1; VERY LATE ACTIVATION ANTIGEN 4; VERY LATE ACTIVATION ANTIGEN 4 ANTAGONIST; VITRONECTIN RECEPTOR;

ACCURACY; ARTICLE; CHEMICAL MODIFICATION; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPARATIVE MOLECULAR SIMILARITY INDICES ANALYSIS; CONTROLLED STUDY; DRUG ACTIVITY; DRUG CONFORMATION; DRUG DESIGN; DRUG STRUCTURE; HYDROGEN BOND; IC 50; INHIBITION KINETICS; LIGAND BINDING; LIPOPHILICITY; MOLECULAR MODEL; PREDICTION; PROTEIN PROTEIN INTERACTION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STEREOSPECIFICITY; X RAY CRYSTALLOGRAPHY;

BINDING SITES; CRYSTALLOGRAPHY, X-RAY; INTEGRIN ALPHA4BETA1; LIGANDS; MODELS, MOLECULAR; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 80052951717     PISSN: 09680896     EISSN: 14643391     Source Type: Journal    
DOI: 10.1016/j.bmc.2011.08.011     Document Type: Article

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