Roles of conformational and positional adaptability in structure-based design of TMC125-R165335 (etravirine) and related non-nucleoside reverse transcriptase inhibitors that are highly potent and effective against wild-type and drug-resistant HIV-1 variants
- Author
- DAS, Kalyan1 ; CLARK, Arthur D1 ; DE CORTE, Bart3 ; KAVASH, Robert W3 ; HO, Chih Y3 ; HONG YE3 ; LICHTENSTEIN, Mark A3 ; ANDRIES, Koen4 ; PAUWELS, Rudi4 ; DE BETHUNE, Marie-Pierre4 ; BOYER, Paul L5 ; CLARK, Patrick5 ; LEWI, Paul J2 ; HUGHES, Stephen H5 ; JANSSEN, Paul A. J2 ; ARNOLD, Eddy1 ; HEERES, Jan2 ; DE JONGE, Marc R2 ; KOYMANS, Lucien M. H2 ; VINKERS, H. Maarten2 ; DAEYAERT, Frederik2 ; LUDOVICI, Donald W3 ; KUKLA, Michael J3
[1] Center for Advanced Biotechnology and Medicine and Department of Chemistry and Chemical Biology, Rutgers University, Piscataway, New Jersey 08854, United States
[2] Center for Molecular Design, Janssen Pharmaceutica NV, Vosselaar, Belgium
[3] Janssen Research Foundation, Spring House, Pennsylvania, United States
[4] Tibotec, 2800 Mechelen, Belgium
[5] HIV Drug Resistance Program, NIH National Cancer Institute-Frederick, Frederick, Maryland 21702, United States - Source
Journal of medicinal chemistry (Print). 2004, Vol 47, Num 10, pp 2550-2560, 11 p ; ref : 52 ref
- CODEN
- JMCMAR
- ISSN
- 0022-2623
- Scientific domain
- Pharmacology drugs
- Publisher
- American Chemical Society, Washington, DC
- Publication country
- United States
- Document type
- Article
- Language
- English
- Keyword (fr)
- Amine aromatique Antiviral Composé non nucléoside Conformation Etravirine Hétérocycle azote In vitro Inhibiteur enzyme Mode liaison Modèle moléculaire Modélisation Nitrile Pyrimidine dérivé RNA-directed RNA polymerase Relation structure activité Synthèse chimique Triazine dérivé Virus HIV1 1,3,5-Triazine(2-[4-cyanoanilino]-4-[2,6-dichlorobenzyl]) Benzonitrile dérivé Inhibiteur reverse transcriptase Pyrimidine(2-[4-cyanoanilino]-4-[2,4,6-triméthylanilino]) Enzyme Lentivirus Nucleotidyltransferases Retroviridae Transferases Virus immunodéficience humaine Virus
- Keyword (en)
- Aromatic amine Antiviral Non nucleoside compound Conformation Etravirine Nitrogen heterocycle In vitro Enzyme inhibitor Binding mode Molecular model Modeling Nitrile Pyrimidine derivatives RNA-directed RNA polymerase Structure activity relation Chemical synthesis Triazine derivatives HIV-1 virus Enzyme Lentivirus Nucleotidyltransferases Retroviridae Transferases Human immunodeficiency virus Virus
- Keyword (es)
- Amina aromática Antiviral Compuesto no nucleósido Conformación Etravirina Heterociclo nitrógeno In vitro Inhibidor enzima Modo de enlace Modelo molecular Modelización Nitrilo Pirimidina derivado RNA-directed RNA polymerase Relación estructura actividad Síntesis química Triazina derivado HIV-1 virus Enzima Lentivirus Nucleotidyltransferases Retroviridae Transferases Human immunodeficiency virus Virus
- Classification
- Pascal
- 002 Biological and medical sciences / 002B Medical sciences / 002B02 Pharmacology. Drug treatments / 002B02S Antibiotics. Antiinfectious agents. Antiparasitic agents / 002B02S05 Antiviral agents
- Discipline
- Pharmacological treatments
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 15712097
Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS
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DOI
10.1021/jm030558s 
https://dx.doi.org/10.1021/jm030558s
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arXiv access
