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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| Format: | Article |
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Nature Portfolio
2025-05-01
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| Series: | Scientific Reports |
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| Online Access: | https://doi.org/10.1038/s41598-025-99055-z |
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| author | Zeyu Huang Xiaohong Jiang Wei Xie Kuicheng Wei Lerong Yang Dehuai Liu Lianlian Zhong |
| author_facet | Zeyu Huang Xiaohong Jiang Wei Xie Kuicheng Wei Lerong Yang Dehuai Liu Lianlian Zhong |
| author_sort | Zeyu Huang |
| collection | DOAJ |
| description | 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. |
| format | Article |
| id | doaj-art-29f21e07e3fc4bf3bd1639bd2b26a82b |
| institution | DOAJ |
| issn | 2045-2322 |
| language | English |
| publishDate | 2025-05-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | Scientific Reports |
| spelling | doaj-art-29f21e07e3fc4bf3bd1639bd2b26a82b2025-08-20T03:16:50ZengNature PortfolioScientific Reports2045-23222025-05-0115111710.1038/s41598-025-99055-zMechanistic insights into Sanbi Decoction for osteoarthritis treatment based on network pharmacology and experimental validationZeyu Huang0Xiaohong Jiang1Wei Xie2Kuicheng Wei3Lerong Yang4Dehuai Liu5Lianlian Zhong6Department of Orthopedics, Minzu Hospital of Guangxi Zhuang Autonomous RegionDepartment of Orthopedics, Minzu Hospital of Guangxi Zhuang Autonomous RegionDepartment of Orthopedics, Minzu Hospital of Guangxi Zhuang Autonomous RegionDepartment of Orthopedics, Minzu Hospital of Guangxi Zhuang Autonomous RegionDepartment of Orthopedics, Affiliated Hospital of Guilin Medical UniversityDepartment of Orthopedics, Minzu Hospital of Guangxi Zhuang Autonomous RegionBig Data Technology Development Division, Guangxi Zhuang Autonomous Region Information CenterAbstract 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.https://doi.org/10.1038/s41598-025-99055-zSanbi DecoctionOsteoarthritisNetwork pharmacologyMolecular dockingMolecular dynamics simulations. |
| spellingShingle | Zeyu Huang Xiaohong Jiang Wei Xie Kuicheng Wei Lerong Yang Dehuai Liu Lianlian Zhong Mechanistic insights into Sanbi Decoction for osteoarthritis treatment based on network pharmacology and experimental validation Scientific Reports Sanbi Decoction Osteoarthritis Network pharmacology Molecular docking Molecular dynamics simulations. |
| title | Mechanistic insights into Sanbi Decoction for osteoarthritis treatment based on network pharmacology and experimental validation |
| title_full | Mechanistic insights into Sanbi Decoction for osteoarthritis treatment based on network pharmacology and experimental validation |
| title_fullStr | Mechanistic insights into Sanbi Decoction for osteoarthritis treatment based on network pharmacology and experimental validation |
| title_full_unstemmed | Mechanistic insights into Sanbi Decoction for osteoarthritis treatment based on network pharmacology and experimental validation |
| title_short | Mechanistic insights into Sanbi Decoction for osteoarthritis treatment based on network pharmacology and experimental validation |
| title_sort | mechanistic insights into sanbi decoction for osteoarthritis treatment based on network pharmacology and experimental validation |
| topic | Sanbi Decoction Osteoarthritis Network pharmacology Molecular docking Molecular dynamics simulations. |
| url | https://doi.org/10.1038/s41598-025-99055-z |
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