Conformational analyses and MO studies of fl52Al and its analogues as potent protein kinase inhibitors

Journal of Chemical Information and Modeling

Volumn 49, Issue 12, 2009, Pages 2650-2659

  Ikemori Kawada, Megumi ^a   Kawai, Takatoshi ^a   Goto, Masaki ^a   Wang, Yuan John ^b   Kawakami, Yoshiyuki ^a  

^a EISAI CO LTD   (Japan)

^b EISAI RESEARCH INSTITUTE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADDITION REACTIONS; AMINO ACIDS; BINDING SITES; CONFORMATIONS; ENZYMES; KETONES; MOLECULAR DYNAMICS; MOLECULAR ORBITALS;

ANTI-INFLAMMATORY ACTIVITY; CONFORMATIONAL ANALYSIS; FERMENTATION BROTHS; INHIBITORY ACTIVITY; PROTEIN KINASE INHIBITORS; REACTIVITY ANALYSIS; SEMI-EMPIRICAL MOLECULAR ORBITAL METHOD; UNSATURATED KETONES;

ORBITAL CALCULATIONS;

DRUG DERIVATIVE; HYDROXIDE; HYDROXIDE ION; LACTONE; LL Z1640 2; LL Z1640-2; MITOGEN ACTIVATED PROTEIN KINASE 1; MITOGEN ACTIVATED PROTEIN KINASE KINASE 1; PROTEIN KINASE INHIBITOR;

AMINO ACID SEQUENCE; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; DRUG ANTAGONISM; DRUG DEVELOPMENT; HUMAN; MOLECULAR GENETICS; STEREOISOMERISM; TEMPERATURE;

AMINO ACID SEQUENCE; DRUG DISCOVERY; HUMANS; HYDROXIDES; LACTONES; MAP KINASE KINASE 1; MITOGEN-ACTIVATED PROTEIN KINASE 1; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MOLECULAR SEQUENCE DATA; PROTEIN KINASE INHIBITORS; STEREOISOMERISM; TEMPERATURE;

EID: 73349135988     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci9003128     Document Type: Article

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