Comparison of benzil and trifluoromethyl ketone (TFK)-mediated carboxylesterase inhibition using classical and 3D-quantitative structure-activity relationship analysis

Bioorganic and Medicinal Chemistry

Volumn 17, Issue 1, 2009, Pages 149-164

  Harada, Toshiyuki ^a   Nakagawa, Yoshiaki ^a   Wadkins, Randy M ^b   Potter, Philip M ^c   Wheelock, Craig E ^d  

^a KYOTO UNIVERSITY   (Japan)

^b UNIVERSITY OF MISSISSIPPI   (United States)

^c ST JUDE CHILDREN S RESEARCH HOSPITAL   (United States)

^d KAROLINSKA INSTITUTE   (Sweden)

Author keywords

Atherosclerosis; Benzil; Carboxylesterase; Cholesterol; CoMFA; Esterase; Fatty acid metabolism; QSAR; TFK; Trifluoromethyl ketone

Indexed keywords

1 PHENYLPENTADECANE 1,2 DIONE DERIVATIVE; AGRICULTURAL CHEMICAL; ALCOHOL; ANTITHROMBOCYTIC AGENT; AROMATIC COMPOUND; BENZYL DERIVATIVE; CARBAMIC ACID; CARBOXYLESTERASE; CARBOXYLESTERASE INHIBITOR; CARBOXYLIC ACID; CLOPIDOGREL; ETHANE 1,2 DIONE DERIVATIVE; IRINOTECAN; ISOPROTEIN; KETONE; ORGANOPHOSPHATE; OSELTAMIVIR; TRIFLUOROMETHYL KETONE DERIVATIVE; UNCLASSIFIED DRUG;

ANIMAL CELL; ANTINEOPLASTIC ACTIVITY; ANTIVIRAL ACTIVITY; ARTICLE; ATHEROSCLEROSIS; CHOLESTEROL METABOLISM; COMPARATIVE MOLECULAR FIELD ANALYSIS; DRUG POTENCY; DRUG SELECTIVITY; ENZYME INHIBITION; ENZYME METABOLISM; ENZYME SPECIFICITY; HUMAN; HUMAN CELL; INHIBITION KINETICS; MOLECULAR MODEL; NONHUMAN; RABBIT; REACTION OPTIMIZATION; STRUCTURE ACTIVITY RELATION; THREE DIMENSIONAL IMAGING;

CARBOXYLESTERASE; CARBOXYLIC ESTER HYDROLASES; ENZYME INHIBITORS; HUMANS; KETONES; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

MAMMALIA; ORYCTOLAGUS CUNICULUS;

EID: 57749208164     PISSN: 09680896     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmc.2008.11.008     Document Type: Article

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