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TitleStructure-Activity Relationship of Oxacyclo- and Triazolo-Containing Respiratory Syncytial Virus Polymerase Inhibitors.
Journal, issue, pagesACS Med Chem Lett, Vol. 15, Issue 9, Page 1549-1558, Year 2024
Publish dateSep 12, 2024
AuthorsMinh T Tran / Sandrine Grosse / Rodrigo J Carbajo / Edgar Jacoby / Yanting Yin / Xiaodi Yu / Carol Martinez / Bart Stoops / Ludwig Cooymans / Lili Hu / Ferdinand H Lutter / Serge Pieters / Eric Tan / Jesus Alcázar / Dirk Roymans / Herman van Vlijmen / Peter Rigaux / Sujata Sharma / Tim H M Jonckers /
PubMed AbstractDespite the availability of medicines preventing respiratory syncytial virus (RSV) infection, post-exposure treatment options are needed for addressing patient's needs. RSV non-nucleoside polymerase ...Despite the availability of medicines preventing respiratory syncytial virus (RSV) infection, post-exposure treatment options are needed for addressing patient's needs. RSV non-nucleoside polymerase inhibitors (NNI) have emerged as a promising asset for which our group previously disclosed JNJ-8003 with potent antiviral activity and pronounced efficacy. In this work, a structural-guided design to modify the linker vector of JNJ-8003 resulted in the identification of 2-oxacyclo pyridine-containing derivatives whose various ring closing strategies are described. In addition, bioisosteric replacement of an amide bond with triazole retained potency, and cryo-electron microscopy (cryo-EM) confirmed binding in the capping domain. Subsequent NMR conformational analysis suggested a correlation between the potency and conformations. Our efforts have fulfilled the aim of identifying linker modifications with maintained biological activity while enriching structural diversity and allowing modulations of other parameters.
External linksACS Med Chem Lett / PubMed:39291020 / PubMed Central
MethodsEM (single particle)
Resolution3.24 Å
Structure data

45296

9c7y

EMDB-45296: EM map Of Respiratory Syncytial Virus Polymerase in complex with JNJ-2729
PDB-9c7y: Structure Of Respiratory Syncytial Virus Polymerase in complex with JNJ-2729
Method: EM (single particle) / Resolution: 3.24 Å

Chemicals

PDB-1awz:
3D SOLUTION STRUCTURE OF HUMAN ANGIOGENIN DETERMINED BY 1H, 15N NMR SPECTROSCOPY, 30 STRUCTURES

Source
  • human respiratory syncytial virus a2
KeywordsVIRAL PROTEIN / TRANSFERASE/INHIBITOR / Non-Nucleoside Inhibitor / complex / Polymerase / RSV / TRANSFERASE-INHIBITOR complex

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