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June 13, 2026Mycologia

Molecular dynamics modeling of the Candida albicans membrane for the discovery of membrane-binding antifungal peptides

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Authors

XCXiaowei ChenRXRuixue XuGFGuangcheng Fu

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Overview

Randomized trial identifies novel antifungal peptides effective against Candida albicans, suggesting therapeutic potential.

Key Points

  • To identify novel antifungal peptides that target the membrane of Candida albicans using computational and experimental approaches.
  • Integrated molecular dynamics simulations and in vitro antifungal assays to evaluate peptide candidates.
  • Utilized AlphaFold2 for structure prediction of antifungal peptides.
  • Evaluated binding and stability of peptides against a model C. albicans membrane.
  • PinA and XYP1 peptides demonstrated strong binding to the C. albicans membrane during MD simulations.
  • In vitro assays confirmed PinA and XYP1 inhibited fungal growth effectively without causing cytotoxicity to HEK-293 cells.

Cite This Study

Chen et al. (2026) studied this question.

synapsesocial.com/papers/6a2cf3b4faef96ed7f056363https://doi.org/10.1080/00275514.2026.2671301
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