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This study integrated transcriptomic analysis, network pharmacology, molecular docking, molecular dynamics (MD) simulation, and ADMET prediction to explore potential mechanisms of Coptidis rhizoma (CR) in IVDD. Bioactive CR compounds and predicted targets were identified from TCMSP, SwissADME, and SwissTargetPrediction, and IVDD-related differentially expressed genes were obtained from two GEO datasets after normalization and batch-effect correction. Thirty-six overlapping genes were identified, and network analysis prioritized CCR1, CXCR2, ICAM1, TNF, STAT3, MPO, and MMP9 as core targets. Enrichment analyses highlighted chemokine signaling, cytokine\u2013cytokine receptor interaction, leukocyte transendothelial migration, TNF signaling, IL-17 signaling, and NF-\u03baB signaling. Docking and benchmark analyses indicated favorable predicted binding of Obacunone\u2013CCR1 and Quercetin\u2013MMP9, while 100-ns MD simulation supported the stability of the Obacunone\u2013CCR1 complex. These findings suggest that CR may modulate chemokine-driven immune recruitment and downstream inflammatory-catabolic processes in IVDD, providing a hypothesis-generating basis for experimental validation.<\/jats:p>","DOI":"10.1177\/15578100261463855","type":"journal-article","created":{"date-parts":[[2026,6,29]],"date-time":"2026-06-29T10:40:12Z","timestamp":1782729612000},"page":"505-514","update-policy":"https:\/\/doi.org\/10.1177\/sage-journals-update-policy","source":"Crossref","is-referenced-by-count":0,"title":["Integrated Bioinformatics and Molecular Docking Analysis Reveals Potential Mechanisms of Coptidis Rhizoma in Intervertebral Disc Degeneration"],"prefix":"10.1177","volume":"30","author":[{"ORCID":"https:\/\/orcid.org\/0009-0006-5679-6804","authenticated-orcid":false,"given":"Chang-Ming","family":"Xiao","sequence":"first","affiliation":[{"name":"Department of Orthopedics, The Affiliated Traditional Chinese Medicine Hospital, Southwest Medical University, Luzhou, Sichuan, 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