Combined 3D-QSAR modeling and molecular docking study on 1,4-dihydroindeno[1,2-c]pyrazoles as VEGFR-2 kinase inhibitors

Journal of Molecular Graphics and Modelling

Volumn 29, Issue 1, 2010, Pages 54-71

  Zeng, Huahui ^a   Zhang, Huabei ^a  

^a BEIJING NORMAL UNIVERSITY   (China)

Author keywords

1,4 dihydroindeno 1,2 c pyrazoles; 3D QSAR; CoMFA; CoMSIA; Molecular docking; VEGFR 2

Indexed keywords

3D-QSAR; COMFA; COMSIA; MOLECULAR DOCKING; PYRAZOLES; VEGFR-2;

AMINO ACIDS; BIOACTIVITY; DOCKING; MOLECULAR GRAPHICS; MOLECULAR MODELING; PHOSPHATASES;

THREE DIMENSIONAL;

1,4 DIHYDROINDENO[1,2 C]PYRAZOLE DERIVATIVE; ANTINEOPLASTIC AGENT; INDENE DERIVATIVE; PROTEIN TYROSINE KINASE INHIBITOR; PYRAZOLE DERIVATIVE; UNCLASSIFIED DRUG; VASCULOTROPIN RECEPTOR 2;

ARTICLE; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPARATIVE MOLECULAR SIMILARITY INDICES ANALYSIS; CRYSTAL STRUCTURE; DRUG DESIGN; DRUG RECEPTOR BINDING; IC 50; MOLECULAR DOCKING; MOLECULAR MODEL; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

BINDING SITES; CRYSTALLOGRAPHY, X-RAY; INHIBITORY CONCENTRATION 50; MODELS, MOLECULAR; PROTEIN CONFORMATION; PROTEIN KINASE INHIBITORS; PYRAZOLES; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; STATIC ELECTRICITY; VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR-2;

EID: 77955776181     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2010.04.004     Document Type: Article

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