Structure-based and shape-complemented pharmacophore modeling for the discovery of novel checkpoint kinase 1 inhibitors

Journal of Molecular Modeling

Volumn 16, Issue 7, 2010, Pages 1195-1204

  Chen, Xiu Mei ^a   Lu, Tao ^a   Lu, Shuai ^a   Li, Hui Fang ^a   Yuan, Hao Liang ^a   Ran, Ting ^a   Liu, Hai Chun ^a   Chen, Ya Dong ^a  

^a CHINA PHARMACEUTICAL UNIVERSITY   (China)

Author keywords

Checkpoint kinase 1; Inhibitor; Shape; Structure based pharmacophore

Indexed keywords

7 HYDROXYSTAUROSPORINE; AZD 7762; CHECKPOINT KINASE 1; PF 00477736; PROTEIN KINASE INHIBITOR; UNCLASSIFIED DRUG;

ARTICLE; DRUG STRUCTURE; PHARMACOPHORE; PRIORITY JOURNAL;

BENZODIAZEPINONES; BINDING SITES; BIOCATALYSIS; DRUG DESIGN; LIGANDS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PHARMACEUTICAL PREPARATIONS; PROTEIN BINDING; PROTEIN KINASE INHIBITORS; PROTEIN KINASES; PROTEIN STRUCTURE, TERTIARY; PYRAZOLES; STAUROSPORINE; STRUCTURE-ACTIVITY RELATIONSHIP; THIOPHENES; UREA;

EID: 77955096202     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-009-0630-y     Document Type: Article

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