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TitleDiscovery of a 2'-α-Fluoro-2'-β--(fluoromethyl) Purine Nucleotide Prodrug as a Potential Oral Anti-SARS-CoV-2 Agent.
Journal, issue, pagesJ Med Chem, Vol. 68, Issue 2, Page 1994-2007, Year 2025
Publish dateJan 23, 2025
AuthorsLan Liang / Yonggang Meng / Xiaoyu Chang / Ertong Li / Yucen Huang / Liming Yan / Zhiyong Lou / Youmei Peng / Bo Zhu / Wenquan Yu / Junbiao Chang /
PubMed AbstractA novel 2'-α-fluoro-2'-β--(fluoromethyl) purine nucleoside phosphoramidate prodrug has been designed and synthesized to treat SARS-CoV-2 infection. The SARS-CoV-2 central replication transcription ...A novel 2'-α-fluoro-2'-β--(fluoromethyl) purine nucleoside phosphoramidate prodrug has been designed and synthesized to treat SARS-CoV-2 infection. The SARS-CoV-2 central replication transcription complex (C-RTC, nsp12-nsp7-nsp8) catalyzed in vitro RNA synthesis was effectively inhibited by the corresponding bioactive nucleoside triphosphate (). The cryo-electron microscopy structure of the C-RTC: complex was also determined. Compound exhibited potent in vitro antiviral activity against the SARS-CoV-2 20SF107 strain (EC = 0.56 ± 0.06 μM) and the Omicron BA.5 variant (EC = 0.96 ± 0.23 μM) with low cytotoxicity. Furthermore, it was well tolerated in rats at doses of up to 2000 mg/kg, and a single oral dose of this prodrug at 40 mg/kg led to high levels of in the target organ lungs of rats with a long half-life. These findings support the further development of compound as an orally available antiviral agent for the treatment of SARS-CoV-2 infection.
External linksJ Med Chem / PubMed:39804580
MethodsEM (single particle)
Resolution2.9 Å
Structure data

62692

9l09

EMDB-62692, PDB-9l09:
SARS-CoV-2 C-RTC with 13-TP
Method: EM (single particle) / Resolution: 2.9 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-MG:
Unknown entry

ChemComp-HOH:
WATER

Source
  • severe acute respiratory syndrome coronavirus 2
KeywordsVIRAL PROTEIN/RNA / SARS-CoV-2 C-RTC / VIRAL PROTEIN-RNA complex

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