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December 4, 2025Journal of Food Science

Exploring Interactions of Volatile Constituents From Polygonum multiflorum With Inflammation‐Related Targets via Dual‐Ligand Docking and MD Simulations

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Authors

WWWei WangZSZuwei SongYCYe Chen

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Overview

Study demonstrates anti-inflammatory properties and ligand binding interactions in macrophages, indicating potential for herbal remedies.

Key Points

  • Molecular dynamics simulations showed significant interactions involving nitric oxide in macrophages, enhancing anti-inflammatory properties.
  • The research identified key roles of volatile constituents through network pharmacology, highlighting their relevance.
  • Chemical profiling combined with ligand binding analysis supports the effectiveness of multi-component strategies against inflammation.
  • This work suggests that understanding binding dynamics can advance the development of optimized natural product formulations.

Cite This Study

Wang et al. (2025) studied this question.

synapsesocial.com/papers/6930dc78ea1aef094cca2209https://doi.org/10.1111/1750-3841.70708
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