A 3-D QSAR study of catechol-O-methyltransferase inhibitors using CoMFA and CoMSIA

QSAR and Combinatorial Science

Volumn 27, Issue 10, 2008, Pages 1183-1192

  Ai, Chunzhi ^a,b   Wang, Yonghua ^c   Li, Yan ^d   Ling, Yanhong ^a   Yang, Ling ^a  

^a DALIAN INSTITUTE OF CHEMICAL PHYSICS   (China)

^b UNIVERSITY OF CHINESE ACADEMY OF SCIENCES   (China)

^c DALIAN OCEAN UNIVERSITY   (China)

^d DALIAN UNIVERSITY OF TECHNOLOGY   (China)

Author keywords

3 D QSAR; Catechol O methyltransferase; CoMFA; CoMSIA; Inhibitor

Indexed keywords

COMPUTATIONAL CHEMISTRY; MOLECULAR GRAPHICS;

3-D QSAR; ANALYSIS MODELS; CATECHOL-O-METHYLTRANSFERASE; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPARATIVE-MOLECULAR-SIMILARITY-INDICES ANALYSIS; INHIBITOR; MOLECULAR FIELDS; QSAR ANALYSIS; QSAR STUDIES; THREE-DIMENSIONAL QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

PHENOLS;

CATECHOL METHYLTRANSFERASE INHIBITOR;

ANIMAL CELL; ARTICLE; BIOLOGICAL ACTIVITY; CHEMICAL MODIFICATION; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPARATIVE MOLECULAR SIMILARITY INDICES ANALYSIS; CONTROLLED STUDY; DRUG DESIGN; DRUG STRUCTURE; ELECTROSTATIC PRECIPITATION; HUMAN; HUMAN CELL; HYDROPHOBICITY; INHIBITION KINETICS; METHODOLOGY; MOLECULAR MODEL; NONHUMAN; PARKINSON DISEASE; PREDICTOR VARIABLE; PRIORITY JOURNAL; RAT; STEREOSPECIFICITY; STRUCTURE ACTIVITY RELATION; THREE DIMENSIONAL QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP;

EID: 57349164488     PISSN: 1611020X     EISSN: 16110218     Source Type: Journal    
DOI: 10.1002/qsar.200730053     Document Type: Article

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