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August 2, 2026PLoS ONEOpen Access

Integrative network pharmacology, transcriptomics, and molecular docking identify candidate Centella asiatica constituents and targets in neurodegenerative diseases

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Authors

YXYuXi XieCLChong-Teik LimXLXin-Jieh Lam

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Overview

Integrative computational analysis identifies candidate compounds and targets in neurodegenerative diseases, suggesting potential therapeutic avenues.

Key Points

  • This study aims to uncover the mechanisms by which Centella asiatica may impact neurodegenerative diseases through integrative computational approaches.
  • Utilized an integrative strategy combining network pharmacology, transcriptomics, machine learning, and molecular docking.
  • Identified 16 candidate constituents of Centella asiatica with specific drug-likeness and absorption characteristics.
  • Performed ROC analyses and molecular docking to evaluate gene performance and compound interactions.
  • Identified 983 AD-associated genes, 1,103 PD-associated genes, and 3,316 HD-associated genes.
  • Pinpointed five hub genes for PD and notable targets for AD and HD.
  • Molecular docking revealed favorable interactions between selected compounds and their respective hub targets.

Cite This Study

Xie et al. (2026) studied this question.

synapsesocial.com/papers/6a6eeb101b0468a7eeab3d82https://doi.org/10.1371/journal.pone.0354882
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