Identification of novel inhibitors of tropomyosin-related kinase A through the structure-based virtual screening with homology-modeled protein structure

Journal of Chemical Information and Modeling

Volumn 51, Issue 11, 2011, Pages 2986-2993

  Park, Hwangseo ^a   Chi, Okyung ^a   Kim, Jinhee ^b   Hong, Sungwoo ^b  

^a Sejong University   (South Korea)

^b Korea Advanced Institute of Science and Technology (KAIST)   (South Korea)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; BINDING SITES; CHEMICAL ANALYSIS; FREE ENERGY; PHYSICOCHEMICAL PROPERTIES;

ATTRACTIVE INTERACTIONS; CHEMICAL LIBRARIES; INHIBITORY ACTIVITY; PROTEIN STRUCTURES; SCORING FUNCTIONS; SOLVATION FREE ENERGIES; STRUCTURAL MODIFICATIONS; STRUCTURE-ACTIVITY RELATIONSHIPS;

ENZYME INHIBITION;

ADENOSINE TRIPHOSPHATE; PROTEIN KINASE; PROTEIN KINASE INHIBITOR; TROPOMYOSIN KINASE;

AMINO ACID SEQUENCE; ARTICLE; BINDING SITE; BIOLOGY; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER INTERFACE; DRUG DESIGN; ENZYMOLOGY; HUMAN; KINETICS; METABOLISM; METHODOLOGY; MOLECULAR GENETICS; MOLECULAR LIBRARY; NEOPLASM; PROTEIN BINDING; SEQUENCE ALIGNMENT; STRUCTURAL HOMOLOGY; STRUCTURE ACTIVITY RELATION; THERMODYNAMICS;

ADENOSINE TRIPHOSPHATE; AMINO ACID SEQUENCE; BINDING SITES; COMPUTATIONAL BIOLOGY; DRUG DESIGN; HUMANS; KINETICS; MODELS, MOLECULAR; MOLECULAR SEQUENCE DATA; NEOPLASMS; PROTEIN BINDING; PROTEIN KINASE INHIBITORS; PROTEIN KINASES; SEQUENCE ALIGNMENT; SMALL MOLECULE LIBRARIES; STRUCTURAL HOMOLOGY, PROTEIN; STRUCTURE-ACTIVITY RELATIONSHIP; THERMODYNAMICS; USER-COMPUTER INTERFACE;

EID: 82355168414     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci200378s     Document Type: Article

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