Structure-directed linker optimization of novel HEPTs as non-nucleoside inhibitors of HIV-1 reverse transcriptase.

Anti-HIV Agents / pharmacology HIV Reverse Transcriptase Molecular Docking Simulation Reverse Transcriptase Inhibitors / pharmacology Structure-Activity Relationship Thymine
HEPTs HIV-1 Linker Modification NNRTIs RT

Journal

Bioorganic chemistry
ISSN: 1090-2120
Titre abrégé: Bioorg Chem
Pays: United States
ID NLM: 1303703

Informations de publication

Date de publication:
04 2023
Historique:
received: 17 12 2022
revised: 02 02 2023
accepted: 03 02 2023
pubmed: 16 2 2023
medline: 21 3 2023
entrez: 15 2 2023
Statut: ppublish

Résumé

1-[(2-Hydroxyethoxy)methyl]-6-(phenylthio)thymines (HEPTs) have been previously described as an important class of HIV-1 nonnucleoside reverse transcriptase inhibitors (NNRTIs). In our continuously pursuing HEPT optimization efforts, a series of novel HEPTs, featuring -C(OH)CH

Identifiants

DOI: 10.1016/j.bioorg.2023.106413 PMID: 36791619
pubmed: 36791619
pii: S0045-2068(23)00073-1
doi: 10.1016/j.bioorg.2023.106413
pii:
doi:

Substances chimiques

Anti-HIV Agents 0
HIV Reverse Transcriptase EC 2.7.7.49
Reverse Transcriptase Inhibitors 0
reverse transcriptase, Human immunodeficiency virus 1 EC 2.7.7.-
Thymine QR26YLT7LT
1-((2-hydroxyethoxy)methyl)-6-(phenylthio)thymine 123027-56-5

Types de publication

Journal Article Research Support, Non-U.S. Gov't

Langues

eng

Sous-ensembles de citation

IM

Pagination

106413

Informations de copyright

Copyright © 2023 Elsevier Inc. All rights reserved.

Déclaration de conflit d'intérêts

Declaration of Competing Interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.

Auteurs

Qing-Qing Hao (QQ)

Engineering Center of Catalysis and Synthesis for Chiral Molecules, Department of Chemistry, Fudan University, Shanghai 200433, China; Shanghai Engineering Center of Industrial Asymmetric Catalysis for Chiral Drugs, Shanghai 200433, China; Sichuan Research Center for Drug Precision Industrial Technology, West China School of Pharmacy, Sichuan University, Chengdu 610041, China.

Xiao-Mei Chen (XM)

Sichuan Research Center for Drug Precision Industrial Technology, West China School of Pharmacy, Sichuan University, Chengdu 610041, China.

Christophe Pannecouque (C)

Rega Institute for Medical Research, KU Leuven, Herestraat 49, B-3000 Leuven, Belgium.

Erik De Clercq (E)

Rega Institute for Medical Research, KU Leuven, Herestraat 49, B-3000 Leuven, Belgium.

Shuai Wang (S)

Engineering Center of Catalysis and Synthesis for Chiral Molecules, Department of Chemistry, Fudan University, Shanghai 200433, China; Shanghai Engineering Center of Industrial Asymmetric Catalysis for Chiral Drugs, Shanghai 200433, China. Electronic address: shuaiwang@fudan.edu.cn.

Fen-Er Chen (FE)

Engineering Center of Catalysis and Synthesis for Chiral Molecules, Department of Chemistry, Fudan University, Shanghai 200433, China; Shanghai Engineering Center of Industrial Asymmetric Catalysis for Chiral Drugs, Shanghai 200433, China; Sichuan Research Center for Drug Precision Industrial Technology, West China School of Pharmacy, Sichuan University, Chengdu 610041, China. Electronic address: rfchen@fudan.edu.cn.

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Classifications MeSH

questionsmedicales.fr › Actions chimiques et utilisations › Actions pharmacologiques › Utilisations thérapeutiques › Anti-infectieux › Antiviraux › Antirétroviraux › Agents antiVIH › Structure-directed linker optimization of...
questionsmedicales.fr › Acides aminés, peptides et protéines › Protéines › Protéines virales › Protéines virales structurales › Protéines nucléocapside › Protéines du core viral › Produits du gène pol › RNA-directed DNA polymerase › Transcriptase inverse du VIH › Structure-directed linker optimization of...
questionsmedicales.fr › Sciences de l'information › Méthodologies informatiques › Simulation numérique › Simulation de docking moléculaire › Structure-directed linker optimization of...
questionsmedicales.fr › Actions chimiques et utilisations › Actions pharmacologiques › Utilisations thérapeutiques › Anti-infectieux › Antiviraux › Inhibiteurs de la transcriptase inverse › Structure-directed linker optimization of...
questionsmedicales.fr › Phénomènes physiologiques › Phénomènes pharmacologiques et toxicologiques › Phénomènes pharmacologiques › Relation structure-activité › Structure-directed linker optimization of...
questionsmedicales.fr › Composés hétérocycliques › Composés hétéromonocycliques › Pyrimidines › Pyrimidinones › Uracile › Thymine › Structure-directed linker optimization of...