Combined pharmacophore modeling, docking, and 3D-QSAR studies of PLK1 inhibitors

International Journal of Molecular Sciences

Volumn 12, Issue 12, 2011, Pages 8713-8739

  Lu, Shuai ^a   Liu, Hai Chun ^a   Chen, Ya Dong ^a   Yuan, Hao Liang ^a   Sun, Shan Liang ^a   Gao, Yi Ping ^a   Yang, Pei ^a   Zhang, Liang ^a   Lu, Tao ^a  

^a CHINA PHARMACEUTICAL UNIVERSITY   (China)

Author keywords

3D QSAR; Molecular docking; Pharmacophore; PLK1

Indexed keywords

4,5 DIHYDRO 1H PYRAZOLO[4,3 H]QUINAZOLINE DERIVATIVE; POLO LIKE KINASE 1; PROTEIN SERINE THREONINE KINASE INHIBITOR; UNCLASSIFIED DRUG; CELL CYCLE PROTEIN; ENZYME INHIBITOR; ONCOPROTEIN; POLO-LIKE KINASE 1; PROTEIN BINDING; PROTEIN SERINE THREONINE KINASE;

ACCURACY; ARTICLE; BINDING AFFINITY; COMBINATORIAL CHEMISTRY; COMPARATIVE MOLECULAR FIELD ANALYSIS; CONFORMATIONAL TRANSITION; CONTROLLED STUDY; CRYSTAL STRUCTURE; HYDROGEN BOND; HYDROPHOBICITY; LIGAND BINDING; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOLECULAR MODEL; PHARMACOPHORE; PREDICTION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; RECEPTOR BINDING; STATIC ELECTRICITY; STEREOCHEMISTRY; STRUCTURE ANALYSIS; THREE DIMENSIONAL IMAGING; AMINO ACID SEQUENCE; ANTAGONISTS AND INHIBITORS; BINDING SITE; CHEMISTRY; HUMAN; METABOLISM; MOLECULAR GENETICS;

AMINO ACID SEQUENCE; BINDING SITES; CELL CYCLE PROTEINS; ENZYME INHIBITORS; HUMANS; MOLECULAR DOCKING SIMULATION; MOLECULAR SEQUENCE DATA; PROTEIN BINDING; PROTEIN-SERINE-THREONINE KINASES; PROTO-ONCOGENE PROTEINS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84055221819     PISSN: None     EISSN: 14220067     Source Type: Journal    
DOI: 10.3390/ijms12128713     Document Type: Article

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