Docking and 3D-QSAR (quantitative structure activity relationship) studies of flavones, the potent inhibitors of p-glycoprotein targeting the nucleotide binding domain

European Journal of Medicinal Chemistry

Volumn 46, Issue 9, 2011, Pages 4078-4088

  Kothandan, Gugan ^a   Gadhe, Changdev G ^a   Madhavan, Thirumurthy ^a   Choi, Cheol Hee ^a   Cho, Seung Joo ^a  

^a Chosun University   (South Korea)

Author keywords

3D QSAR; CoMFA; CoMSIA; Flavones; Homology modeling; Nucleotide binding Domain; P Glycoprotein

Indexed keywords

FLAVONE; GLYCOPROTEIN P INHIBITOR;

ARTICLE; BINDING AFFINITY; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPARATIVE MOLECULAR SIMILARITY INDICES ANALYSIS; DRUG ACTIVITY; HUMAN; HUMAN CELL; HYDROPHOBICITY; MOLECULAR DOCKING; NUCLEOTIDE BINDING SITE; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STEREOSPECIFICITY;

AMINO ACID SEQUENCE; BINDING SITES; FLAVONES; HUMANS; MODELS, MOLECULAR; MOLECULAR SEQUENCE DATA; NUCLEOTIDES; P-GLYCOPROTEINS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SEQUENCE HOMOLOGY, AMINO ACID;

EID: 80052957000     PISSN: 02235234     EISSN: 17683254     Source Type: Journal    
DOI: 10.1016/j.ejmech.2011.06.008     Document Type: Article

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