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September 20, 2025

Novel multitarget-labeled molecular networking for exploring pharmacodynamic compounds of traditional Chinese medicine formulae: a case study of Zhu-Ling decoction.

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Authors

XLXianxian LiJMJiamu MaYZYuan Zheng

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Overview

Novel multitarget-labeled molecular networking reveals key compounds and binding targets in chronic glomerulonephritis.

Key Points

  • Key pharmacodynamic compounds in Zhu-Ling decoction display stronger binding affinities with TGF-β, Smad3, and IL-6, enhancing treatment effects.
  • A total of 98 compounds were identified through HPLC-Q-Exactive MS, leveraging multitarget-labeled molecular networking techniques.
  • Molecular docking revealed specific interactions between compounds in Zhu-Ling decoction and their core targets, underlining their therapeutic potential.
  • Effects on mRNA expression levels of core targets were validated using a zebrafish model of kidney injury, confirming the findings.

Cite This Study

Li et al. (2025) studied this question.

synapsesocial.com/papers/68d46abb31b076d99fa67f60https://doi.org/10.1039/d5ay00772k
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