Mechanistic insights into Sanbi Decoction for osteoarthritis treatment based on network pharmacology and experimental validation

Mechanistic insights into Sanbi Decoction for osteoarthritis treatment based on network pharmacology and experimental validation

Abstract Sanbi Decoction (SBD) has demonstrated promising therapeutic potential in osteoarthritis (OA) treatment, yet its precise mechanisms remain unclear. This research combined computational and experimental approaches, including bioinformatics analysis, network pharmacology, molecular docking, m...

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Bibliographic Details
Main Authors: Zeyu Huang, Xiaohong Jiang, Wei Xie, Kuicheng Wei, Lerong Yang, Dehuai Liu, Lianlian Zhong
Format: Article
Language:English
Published: Nature Portfolio 2025-05-01
Series:Scientific Reports
Subjects:
Sanbi Decoction
Osteoarthritis
Network pharmacology
Molecular docking
Molecular dynamics simulations.
Online Access:https://doi.org/10.1038/s41598-025-99055-z
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Summary:Abstract Sanbi Decoction (SBD) has demonstrated promising therapeutic potential in osteoarthritis (OA) treatment, yet its precise mechanisms remain unclear. This research combined computational and experimental approaches, including bioinformatics analysis, network pharmacology, molecular docking, molecular dynamics simulations, and laboratory validation, to investigate the mechanisms of action of SBD. A total of 114 active compounds and 113 intersecting targets were identified through TCMSP and multiple screening strategies. Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analyses revealed that these targets are primarily involved in key signaling pathways, including the AGE-RAGE signaling pathway, IL-17 signaling pathway, and TNF signaling pathway. Among the active components, Shinflavanone, Gancaonin L, Xambioona, Phaseol, Gancaonin O, and Licoisoflavanone exhibited strong binding affinity and structural stability with core targets, as validated by molecular docking and molecular dynamics simulations. Experimental results confirmed that SBD alleviates oxidative stress, reduces inflammation, and protects cartilage by inhibiting the AGE-RAGE/JNK pathway. These findings highlight SBD’s potential as a promising therapeutic agent for OA treatment.
ISSN:2045-2322

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