QSAR and molecular graphics analysis of N2-phenylguanines as inhibitors of herpes simplex virus thymidine kinases

Journal of Molecular Graphics and Modelling

Volumn 18, Issue 1, 2000, Pages 33-41

  Gaudio, Anderson Coser ^a   Richards, W Graham ^b   Takahata, Yuji ^c  

^a FEDERAL UNIVERSITY OF ESPÍRITO SANTO   (Brazil)

^b UNIVERSITY OF OXFORD   (United Kingdom)

^c UNIVERSITY OF CAMPINAS   (Brazil)

Author keywords

Herpes simplex virus; Phenylguanine binding mode; Quantitative structure activity relationships; Thymidine kinase

Indexed keywords

AMINO ACIDS; CHEMICAL ANALYSIS; DERIVATIVES; ENZYMES; MUTAGENESIS; CRYSTAL STRUCTURE; MOLECULAR STRUCTURE; NITROGEN COMPOUNDS; VIRUSES;

QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS (QSAR); HOMOLOGY MODEL; MOLECULAR GRAPHICS ANALYSIS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP (QSAR);

MOLECULAR GRAPHICS; ENZYMES;

2 N PHENYLGUANINE DERIVATIVE; ALANINE; GANCICLOVIR; GUANINE DERIVATIVE; ISOLEUCINE; LEUCINE; SERINE; THYMIDINE KINASE; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL STRUCTURE; CRYSTAL STRUCTURE; ENZYME ANALYSIS; HERPES SIMPLEX VIRUS 1; HERPES SIMPLEX VIRUS 2; PHYSICAL CHEMISTRY; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STEREOCHEMISTRY;

AMINO ACID SEQUENCE; COMPUTER GRAPHICS; COMPUTER SIMULATION; ENZYME INHIBITORS; GUANINE; HERPESVIRUS 1, HUMAN; HERPESVIRUS 2, HUMAN; MODELS, MOLECULAR; MOLECULAR SEQUENCE DATA; MOLECULAR STRUCTURE; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SEQUENCE ALIGNMENT; SIMPLEXVIRUS; STATISTICS; THYMIDINE KINASE;

EID: 0034351146     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1093-3263(00)00032-2     Document Type: Article

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