Imidazole-containing farnesyltransferase inhibitors: 3D quantitative structure-activity relationships and molecular docking

Journal of Computer-Aided Molecular Design

Volumn 23, Issue 7, 2009, Pages 431-448

  Xie, Aihua ^a   Odde, Srinivas ^a,b   Prasanna, Sivaprakasam ^a   Doerksen, Robert J ^a  

^a UNIVERSITY OF MISSISSIPPI   (United States)

^b UNIVERSITY OF SOUTHERN CALIFORNIA   (United States)

Author keywords

CoMFA; CoMSIA; Docking; Farnesyltransferase inhibitors; Imidazoles; Outliers

Indexed keywords

COMPUTATIONAL CHEMISTRY; PLANTS (BOTANY); STATISTICS;

ACTIVE SITE; COMFA; COMSIA; DOCKING; FARNESYLTRANSFERASE; FARNESYLTRANSFERASE INHIBITOR; IMIDAZOL; MOLECULAR DOCKING; OUTLIER; QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP;

BINDING ENERGY;

FARNESYL DIPHOSPHATE; IMIDAZOLE; PROTEIN FARNESYLTRANSFERASE INHIBITOR; TIPIFARNIB;

ARTICLE; BINDING SITE; CHEMICAL STRUCTURE; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPARATIVE MOLECULAR SIMILARITY INDICES ANALYSIS; CONTROLLED STUDY; DRUG ACTIVITY; DRUG CONFORMATION; ELECTRICITY; ENZYME INHIBITION; HYDROPHOBICITY; IC 50; MOLECULAR DOCKING; PHYSICAL CHEMISTRY; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STEREOCHEMISTRY;

EID: 67649810766     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-009-9278-z     Document Type: Article

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