Prediction of the binding mode of N2-phenylguanine derivative inhibitors to herpes simplex virus type 1 thymidine kinase

Journal of Computer-Aided Molecular Design

Volumn 12, Issue 1, 1998, Pages 15-25

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

^a FEDERAL UNIVERSITY OF ESPÍRITO SANTO   (Brazil)

^b UNIVERSITY OF CAMPINAS   (Brazil)

^c UNIVERSITY OF OXFORD   (United Kingdom)

Author keywords

Herpes simplex virus; Phenylguanine binding mode; Thymidine kinase

Indexed keywords

BINDING ENERGY; ENZYMES;

BINDING MODES; BINDING PARAMETER; COMPUTATIONAL EXPERIMENT; GANCICLOVIR; HERPES SIMPLEX VIRUS; HERPES SIMPLEX VIRUS THYMIDINE KINASE; HERPES SIMPLEX VIRUS TYPE 1; NATURAL SUBSTRATES; PHENYLGUANINE BINDING MODE; THYMIDINE KINASE;

VIRUSES;

ANTIVIRUS AGENT; DRUG DERIVATIVE; ENZYME INHIBITOR; GANCICLOVIR; GUANINE; N(2) PHENYLGUANINE; N(2)-PHENYLGUANINE; THYMIDINE; THYMIDINE KINASE;

AMINO ACID SEQUENCE; ARTICLE; BINDING COMPETITION; BINDING SITE; CHEMICAL STRUCTURE; CHEMISTRY; COMPARATIVE STUDY; COMPUTER SIMULATION; DRUG ANTAGONISM; DRUG EFFECT; ENZYMOLOGY; HERPES SIMPLEX VIRUS 1; HUMAN; METABOLISM; PHOSPHORYLATION; PROTEIN CONFORMATION; SEQUENCE HOMOLOGY; SPECIES DIFFERENCE; THERMODYNAMICS;

AMINO ACID SEQUENCE; ANTIVIRAL AGENTS; BINDING SITES; BINDING, COMPETITIVE; COMPUTER SIMULATION; ENZYME INHIBITORS; GANCICLOVIR; GUANINE; HERPESVIRUS 1, HUMAN; HUMANS; MODELS, MOLECULAR; PHOSPHORYLATION; PROTEIN CONFORMATION; SEQUENCE HOMOLOGY, AMINO ACID; SPECIES SPECIFICITY; THERMODYNAMICS; THYMIDINE; THYMIDINE KINASE;

EID: 0031616734     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1007930523818     Document Type: Article

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