Ligand-based assessment of factor Xa binding site flexibility via elaborate pharmacophore exploration and genetic algorithm-based QSAR modeling

European Journal of Medicinal Chemistry

Volumn 40, Issue 7, 2005, Pages 701-727

  Taha, Mutasem O ^a   Qandil, Amjad M ^b   Zaki, Dhia D ^a   Aldamen, Murad A ^a  

^a UNIVERSITY OF JORDAN   (Jordan)

^b JORDAN UNIVERSITY OF SCIENCE AND TECHNOLOGY   (Jordan)

Author keywords

Activated factor X inhibitors; Active site flexibility; Genetic algorithm; Multiple linear regression; Pharmacophore modeling; QSAR

Indexed keywords

BLOOD CLOTTING FACTOR 10A; BLOOD CLOTTING FACTOR 10A INHIBITOR; LIGAND;

ARTICLE; BINDING AFFINITY; DRUG BINDING SITE; DRUG STRUCTURE; GENETIC ALGORITHM; LIGAND BINDING; LINEAR REGRESSION ANALYSIS; MOLECULAR MODEL; MOLECULAR WEIGHT; PHARMACOPHORE; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STATISTICAL SIGNIFICANCE; STRUCTURE ANALYSIS; THREE DIMENSIONAL IMAGING;

ALGORITHMS; BINDING SITES; FACTOR XA; HUMANS; LIGANDS; MODELS, MOLECULAR; PLIABILITY; PROTEIN BINDING; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 20444424191     PISSN: 02235234     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ejmech.2004.10.014     Document Type: Article

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