Identification of inhibitors against p90 ribosomal S6 kinase 2 (RSK2) through structure-based virtual screening with the inhibitor-constrained refined homology model

Journal of Chemical Information and Modeling

Volumn 51, Issue 11, 2011, Pages 2939-2947

  Li, Shiliang ^a   Zhou, Yi ^a   Lu, Weiqiang ^a   Zhong, Ye ^a   Song, Wenlong ^a   Liu, Kangdong ^b   Huang, Jin ^a   Zhao, Zhenjiang ^a   Xu, Yufang ^a   Liu, Xiaofeng ^a   Li, Honglin ^a  

^a EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b ZHENGZHOU UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

3D MODELING; AMINO ACIDS; BINDING SITES; DIGITAL LIBRARIES; DISEASES; ENZYMES;

ATP-BINDING SITE; CONSTRAINED REFINEMENT; HOMOLOGY MODELING; MOLECULAR DOCKING; P90 RIBOSOMAL S6 KINASE; POTENTIAL TARGETS; STRUCTURE-BASED; VIRTUAL SCREENING;

CRYSTAL STRUCTURE;

ADENOSINE TRIPHOSPHATE; LIGAND; PROTEIN KINASE INHIBITOR; RIBOSOMAL PROTEIN S6 KINASE, 90KDA, POLYPEPTIDE 3; RPS6KA1 PROTEIN, HUMAN; S6 KINASE;

AMINO ACID SEQUENCE; ANIMAL; ARTICLE; BINDING SITE; BIOLOGY; CELL SURVIVAL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER INTERFACE; DRUG ANTAGONISM; DRUG DEVELOPMENT; DRUG EFFECT; ENZYMOLOGY; HUMAN; IC 50; METABOLISM; METHODOLOGY; MOLECULAR GENETICS; MOUSE; NEOPLASM; PROTEIN BINDING; PROTEIN TERTIARY STRUCTURE; SEQUENCE ALIGNMENT; STRUCTURAL HOMOLOGY; STRUCTURE ACTIVITY RELATION;

ADENOSINE TRIPHOSPHATE; AMINO ACID SEQUENCE; ANIMALS; BINDING SITES; CELL SURVIVAL; COMPUTATIONAL BIOLOGY; DRUG DISCOVERY; HUMANS; INHIBITORY CONCENTRATION 50; LIGANDS; MICE; MODELS, MOLECULAR; MOLECULAR SEQUENCE DATA; NEOPLASMS; PROTEIN BINDING; PROTEIN KINASE INHIBITORS; PROTEIN STRUCTURE, TERTIARY; RIBOSOMAL PROTEIN S6 KINASES, 90-KDA; SEQUENCE ALIGNMENT; STRUCTURAL HOMOLOGY, PROTEIN; STRUCTURE-ACTIVITY RELATIONSHIP; USER-COMPUTER INTERFACE;

EID: 82355168486     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci2002445     Document Type: Article

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