ArticleFood science & nutrition2025
Network Pharmacology, Molecular Docking, and Molecular Dynamics Simulations to Elucidate the Potential Mechanism of Ermiao San in Osteoarthritis.
Article in Food science & nutrition, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
3 citing papers in PubMed.
- Di(2-Ethylhexyl) Phthalate Exposure and Risk of Diabetic Kidney Disease: Epidemiological Association and Mechanistic Insights.Diabetes/metabolism research and reviews · 2026Article
- Review
- Network Pharmacology, Molecular Docking, and Molecular Dynamics Simulations to Elucidate the Potential Mechanism of Ermiao San in Osteoarthritis.Food science & nutrition · 2025Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
9 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
This study aims to identify the active components and molecular mechanisms of Ermiao San (EMS) in the treatment of osteoarthritis (OA) through network pharmacology, molecular docking, and molecular dynamics simulations. EMS compounds and their targets were retrieved from TCMSP; OA-related targets were collected from five public databases. Potential drug-disease target interactions were analyzed using STRING 12.0 and Cytoscape 3.10.2. Functional and pathway enrichment analyses were performed on the 90 overlapping targets. Molecular docking was performed with CB-Dock2 and LigPlot+ v2.2.8 platforms, followed by a comprehensive evaluation of key compounds via SwissADME. We identified 46 active chemicals, 187 EMS-specific targets, and 1718 OA-related targets, with 90 overlapping targets. Molecular docking and molecular dynamics simulations analysis revealed a strong binding potential of key EMS compounds to target proteins. These findings suggest that EMS exerts its anti-OA effects through multicomponent, multi-target, and multipathway interactions.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.