ArticleJournal of cheminformatics2021
Investigation of pharmacological mechanism of natural product using pathway fingerprints similarity based on "drug-target-pathway" heterogenous network.
Article in Journal of cheminformatics, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.
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Who cites it
5 citing papers in PubMed, 10 citations in OpenAlex.
- Dual-Algorithm Integration Framework Reveals Qing-Wei-Zhi-Tong's Dual Mechanisms in Chronic Gastritis.Pharmaceuticals (Basel, Switzerland) · 2025Article
- Network toxicology reveals glyphosate mechanisms in kidney injury and cancer.Scientific reports · 2025Article
- Natural product virtual-interact-phenotypic target characterization: A novel approach demonstrated with Salvia miltiorrhiza extract.Journal of pharmaceutical analysis · 2025Article
- Application of network pharmacology in synergistic action of Chinese herbal compounds.Theory in biosciences = Theorie in den Biowissenschaften · 2024Review
- Exploring the role of Yuxuebi tablet in neuropathic pain with the method of similarity research of drug pharmacological effects based on unsupervised machine learning.Frontiers in pharmacology · 2024Article
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Authors and funding
9 authors at 5 institutions in 2 countries.
Funding
Abstract
Natural products from traditional medicine inherit bioactivity from their source herbs. However, the pharmacological mechanism of natural products is often unclear and studied insufficiently. Pathway fingerprint similarity based on "drug-target-pathway" heterogeneous network provides new insight into Mechanism of Action (MoA) for natural products compared with reference drugs, which are selected approved drugs with similar bioactivity. Natural products with similar pathway fingerprints may have similar MoA to approved drugs. In our study, XYPI, an andrographolide derivative, had similar anti-inflammatory activity to Glucocorticoids (GCs) and non-steroidal anti-inflammatory drugs (NSAIDs), and GCs and NSAIDs have completely different MoA. Based on similarity evaluation, XYPI has similar pathway fingerprints as NSAIDs, but has similar target profile with GCs. The expression pattern of genes in LPS-activated macrophages after XYPI treatment is similar to that after NSAID but not GC treatment, and this experimental result is consistent with the computational prediction based on pathway fingerprints. These results imply that the pathway fingerprints of drugs have potential for drug similarity evaluation. This study used XYPI as an example to propose a new approach for investigating the pharmacological mechanism of natural products using pathway fingerprint similarity based on a "drug-target-pathway" heterogeneous network.
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