Elaborate Structural Modifications Yielding Novel Boron-Containing N-Substituted Oseltamivir Derivatives as Potent Neuraminidase Inhibitors with Significantly Improved Broad-Spectrum Antiresistance Profiles

J Med Chem. 2024 Dec 26;67(24):22191-22217. doi: 10.1021/acs.jmedchem.4c02222. Epub 2024 Dec 7.

Abstract

Inspired by our previous finding that targeting the 150-cavity with a multisite-binding strategy emerged as an effective approach to obtain more potent and selective neuraminidase (NA) inhibitors against influenza virus, we present here the design, synthesis, and optimization of novel boron-containing N-substituted oseltamivir (OSC) derivatives. Exploratory structure-activity relationship (SAR) studies led to the identification of compounds 27c and 33c as the most potent NA inhibitors, surpassing OSC in potency against both wild-type group-1 NAs and oseltamivir-resistant NAs. These compounds demonstrated significant antiviral activity against several wild-type strains and H1N1pdm09 strains (EC50 = 0.03 ± 0.005 and 0.03 ± 0.0008 μM, respectively). Additionally, these compounds did not exhibit significant toxicity (CC50 > 200 μM in CEF cells; CC50 > 250 μM in MDCK cells). These findings highlight 27c and 33c as promising next-generation anti-influenza agents.

MeSH terms

  • Animals
  • Antiviral Agents* / chemical synthesis
  • Antiviral Agents* / chemistry
  • Antiviral Agents* / pharmacology
  • Boron / chemistry
  • Dogs
  • Drug Resistance, Viral* / drug effects
  • Enzyme Inhibitors* / chemical synthesis
  • Enzyme Inhibitors* / chemistry
  • Enzyme Inhibitors* / pharmacology
  • Humans
  • Influenza A Virus, H1N1 Subtype / drug effects
  • Influenza A Virus, H1N1 Subtype / enzymology
  • Madin Darby Canine Kidney Cells
  • Microbial Sensitivity Tests
  • Molecular Structure
  • Neuraminidase* / antagonists & inhibitors
  • Neuraminidase* / metabolism
  • Oseltamivir* / chemical synthesis
  • Oseltamivir* / chemistry
  • Oseltamivir* / pharmacology
  • Structure-Activity Relationship

Substances

  • Neuraminidase
  • Antiviral Agents
  • Oseltamivir
  • Enzyme Inhibitors
  • Boron