3D-QSAR and molecular docking studies of azaindole derivatives as Aurora B kinase inhibitors

Journal of Molecular Modeling

Volumn 17, Issue 5, 2011, Pages 1191-1205

  Lan, Ping ^a   Chen, Wan Na ^a   Sun, Ping Hua ^a   Chen, Wei Min ^a  

^a JINAN UNIVERSITY   (China)

Author keywords

3D QSAR; Aurora kinase B; CoMFA; CoMSIA; Molecular docking

Indexed keywords

AURORA B KINASE; INDOLE DERIVATIVE; PROTEIN SERINE THREONINE KINASE INHIBITOR;

ANTINEOPLASTIC ACTIVITY; ARTICLE; CONTROLLED STUDY; DRUG ACTIVITY; DRUG STRUCTURE; DRUG SYNTHESIS; IC 50; MOLECULAR DOCKING; PRIORITY JOURNAL;

AZA COMPOUNDS; BINDING SITES; DRUG DESIGN; HUMANS; INDOLES; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; NEOPLASMS; PROTEIN BINDING; PROTEIN KINASE INHIBITORS; PROTEIN-SERINE-THREONINE KINASES; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; THERMODYNAMICS;

EID: 79958176440     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-010-0820-7     Document Type: Article

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