QSAR models for HEPT derivates as NNRTI inhibitors based on Monte Carlo method

European Journal of Medicinal Chemistry

Volumn 77, Issue , 2014, Pages 298-305

  Toropova, Alla P ^a   Toropov, Andrey A ^a   Veselinović, Jovana B ^b   Miljković, Filip N ^b   Veselinović, Aleksandar M ^b  

^a MARIO NEGRI INSTITUTE FOR PHARMACOLOGICAL RESEARCH   (Italy)

^b UNIVERSITY OF NI   (Serbia)

Author keywords

Computer aided drug design; CORAL software; HEPT; Monte Carlo method; QSAR; SMILES

Indexed keywords

1 [(2 HYDROXYETHOXY) METHYL] 6 (PHENYLTHIO) THYMINE DERIVATIVE; ANTI HUMAN IMMUNODEFICIENCY VIRUS AGENT; HYDROGEN; NONNUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITOR; UNCLASSIFIED DRUG; 1-((2-HYDROXYETHOXY)METHYL)-6-(PHENYLTHIO)THYMINE; RNA DIRECTED DNA POLYMERASE; RNA DIRECTED DNA POLYMERASE INHIBITOR; THYMINE;

ANTIVIRAL ACTIVITY; ARTICLE; CHEMICAL STRUCTURE; COMPUTER AIDED DESIGN; DRUG DESIGN; HUMAN IMMUNODEFICIENCY VIRUS 1; MONTE CARLO METHOD; QUANTITATIVE STRUCTURE ACTIVITY RELATION; ANALOGS AND DERIVATIVES; ANTAGONISTS AND INHIBITORS; CHEMISTRY; DOSE RESPONSE; IC50; METABOLISM; SYNTHESIS;

ANTI-HIV AGENTS; COMPUTER-AIDED DESIGN; DOSE-RESPONSE RELATIONSHIP, DRUG; DRUG DESIGN; HIV REVERSE TRANSCRIPTASE; INHIBITORY CONCENTRATION 50; MOLECULAR STRUCTURE; MONTE CARLO METHOD; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; REVERSE TRANSCRIPTASE INHIBITORS; THYMINE;

EID: 84896524477     PISSN: 02235234     EISSN: 17683254     Source Type: Journal    
DOI: 10.1016/j.ejmech.2014.03.013     Document Type: Article

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