Comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) of thiazolone derivatives as hepatitis C virus NS5B polymerase allosteric inhibitors

Journal of Computer-Aided Molecular Design

Volumn 22, Issue 10, 2008, Pages 711-725

  Lei, Beilei ^a   Du, Juan ^a   Li, Shuyan ^a   Liu, Huanxiang ^a   Ren, Yueying ^a   Yao, Xiaojun ^a  

^a LANZHOU UNIVERSITY   (China)

Author keywords

3D QSAR; CoMFA; CoMSIA; Hepatitis C virus NS5B polymerase

Indexed keywords

COMPUTATIONAL CHEMISTRY; MOLECULAR GRAPHICS; VIRUSES;

3D-QSAR; ALLOSTERIC INHIBITOR; ALLOSTERIC SITE; ANALYSIS MODELS; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPARATIVE-MOLECULAR-SIMILARITY-INDICES ANALYSIS; HEPATITIS C VIRUS NS5B POLYMERASE; PREDICTIVE ABILITIES; QSAR MODEL; THREE DIMENSIONAL QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP (3D QSAR);

CONFORMATIONS;

ANTI HUMAN IMMUNODEFICIENCY VIRUS AGENT; NONSTRUCTURAL PROTEIN 5B; NONSTRUCTURAL PROTEIN 5B POLYMERASE ALLOSTERIC INHIBITOR; THIAZOLONE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPARATIVE MOLECULAR SIMILARITY INDICES ANALYSIS; CONFORMATION; CRYSTAL STRUCTURE; DRUG DESIGN; DRUG STRUCTURE; HEPATITIS C VIRUS; IC 50; MOLECULAR MODEL; NONHUMAN; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; REGRESSION ANALYSIS; X RAY;

EID: 52249111151     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-008-9230-7     Document Type: Article

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