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March 26, 2026Journal of the American Chemical Society0 citations

Coupled Hydrogen-Bond–Electrostatic Recognition of Phosphatidylglycerol Drives the Design of Resistance-Suppressing Miniature Peptidomimetics

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XTXubo TongJLJiaqi LiYTYingjia Tan

Key Points

  • The aim is to develop small molecules that target bacterial phosphatidylglycerol more effectively than current agents.
  • Designed bis-pyridinium amides for targeting phosphatidylglycerol through specific bonding mechanisms.
  • Measured binding affinity using K<sub>d</sub> values for bis-pyridinium amides and daptomycin.
  • Evaluated the dual-targeting mechanism on bacterial cells and assessed biocompatibility in infection models.
  • BisPA14 shows a comparable binding affinity to phosphatidylglycerol as daptomycin but with one-third the molecular weight.
  • Successfully disrupts bacterial membrane integrity and engages DNA as a secondary target.
  • Demonstrates effectiveness against methicillin-resistant Staphylococcus aureus in various infection models.

Abstract

The emergence of multidrug-resistant (MDR) pathogens has urged us to find new antimicrobial strategies. Phosphatidylglycerol (PG) is an attractive bacterial-specific lipid target but is targeted by only one clinical agent, daptomycin. Yet daptomycin, like most reported PG binders, binds PG through an imprecise hydrophobic-electrostatic mode, necessitating a relatively large molecular size. This requirement, together with its strict Ca2+ dependence, significantly limits its efficacy. Here, we report bis-pyridinium amides (BisPAs), a rationally designed class of small molecules capable of precisely recognizing PG through amide-diol hydrogen bonding coupled with pyridinium-phosphate anionic-π interaction, independent of environmental conditions such as Ca2+. The lead compound, BisPA14, with ∼one-third the molecular weight of daptomycin, exhibits comparable PG-binding affinity, with Kd(BisPA14) = 1.4 × 10-6 M versus Kd(daptomycin-Ca2+) = 0.9 × 10-6 M. BisPA14 disrupts PG self-assembly and membrane integrity and simultaneously engages bacterial DNA as a secondary intracellular target. This dual-targeting mechanism enables BisPA14 to eradicate proliferating, tolerant, and persister bacterial populations while suppressing resistance evolution. It remains active in serum-containing environments, protects host cells from bacterial damage, and demonstrates excellent biocompatibility and strong therapeutic efficacy in intraperitoneal, pulmonary, and bloodstream methicillin-resistant Staphylococcus aureus infection models. As a synthetically accessible small molecule that functionally mimics and improves upon daptomycin's lipid-targeting mechanism, this work establishes a secondary-bonding-driven PG-recognition paradigm for combating MDR bacterial infections.

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Cite This Study

Tong et al. (2026) studied this question.

synapsesocial.com/papers/69c4cc37fdc3bde448917741https://doi.org/10.1021/jacs.6c03697
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