{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,12]],"date-time":"2026-09-12T02:16:18Z","timestamp":1789179378273,"version":"build-2803163510"},"reference-count":38,"publisher":"Wiley","issue":"2","license":[{"start":{"date-parts":[[2026,1,8]],"date-time":"2026-01-08T00:00:00Z","timestamp":1767830400000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"},{"start":{"date-parts":[[2026,1,8]],"date-time":"2026-01-08T00:00:00Z","timestamp":1767830400000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/doi.wiley.com\/10.1002\/tdm_license_1.1"}],"content-domain":{"domain":["analyticalsciencejournals.onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Biomedical Chromatography"],"published-print":{"date-parts":[[2026,2]]},"abstract":"<jats:title>ABSTRACT<\/jats:title>\n                  <jats:p>Intervertebral disc degeneration (IVDD) is a major cause of low back pain and disability. Excessive reactive oxygen species (ROS) disrupt disc homeostasis. Bushen Huoxue (BSHX) decoction, a traditional Chinese medicine, shows clinical efficacy in IVDD, but its antioxidant mechanisms are not well understood. Public IVDD transcriptomic datasets were analyzed to identify ROS\u2010related gene signatures, followed by immune infiltration assessment. LC\u2013MS\/MS was used to characterize the chemical profile of BSHX decoction. Network pharmacology, machine learning, and bioinformatics analyses were integrated to identify potential compound\u2010target interactions. Molecular docking and molecular dynamics simulations were applied to validate binding stability between active components and key targets. Six ROS\u2010related hub genes (NCF1C, SLC11A1, MPO, GSTA4, SLC7A11, AKR1C3) were identified, with immune profiling revealing increased neutrophils, NK cells, and pro\u2010inflammatory macrophages in IVDD. LC\u2013MS\/MS identified 77 active compounds in BSHX decoction, including flavonoids and phenolic acids. Network analysis and docking suggested strong interactions with oxidative stress targets, notably MPO. Molecular dynamics simulations confirmed the stability of key compound\u2010target complexes. BSHX decoction shows promise as a multitarget antioxidant therapy for IVDD, offering mechanistic insight into its traditional efficacy. These findings support its further development and experimental validation.<\/jats:p>","DOI":"10.1002\/bmc.70343","type":"journal-article","created":{"date-parts":[[2026,1,8]],"date-time":"2026-01-08T13:29:36Z","timestamp":1767878976000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":3,"title":["Integrative LC\u2013MS\/MS, Bioinformatics, and Molecular Dynamics Reveal Multitarget Antioxidant Mechanisms of Bushen Huoxue Decoction in Intervertebral Disc Degeneration"],"prefix":"10.1002","volume":"40","author":[{"given":"Hongtao","family":"Li","sequence":"first","affiliation":[{"name":"Wangjing Hospital China Academy of Chinese Medical Sciences  Beijing China"},{"name":"Beijing key Laboratory of Digital Intelligence Traditional Chinese Medicine for Preventing and Treating Degenerative Bone and Joint Diseases  Beijing China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Changxiao","family":"Han","sequence":"additional","affiliation":[{"name":"Wangjing Hospital China Academy of Chinese Medical Sciences  Beijing China"},{"name":"Beijing key Laboratory of Digital Intelligence Traditional Chinese Medicine for Preventing and Treating Degenerative Bone and Joint Diseases  Beijing China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0001-1750-7057","authenticated-orcid":false,"given":"Haibao","family":"Wen","sequence":"additional","affiliation":[{"name":"Wangjing Hospital China Academy of Chinese Medical Sciences  Beijing China"},{"name":"Beijing key Laboratory of Digital Intelligence Traditional Chinese Medicine for Preventing and Treating Degenerative Bone and Joint Diseases  Beijing China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Liguo","family":"Zhu","sequence":"additional","affiliation":[{"name":"Wangjing Hospital China Academy of Chinese Medical Sciences  Beijing China"},{"name":"Beijing key Laboratory of Digital Intelligence Traditional Chinese Medicine for Preventing and Treating Degenerative Bone and Joint Diseases  Beijing China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0005-1134-6087","authenticated-orcid":false,"given":"Minshan","family":"Feng","sequence":"additional","affiliation":[{"name":"Wangjing Hospital China Academy of Chinese Medical Sciences  Beijing China"},{"name":"Beijing key Laboratory of Digital Intelligence Traditional Chinese Medicine for Preventing and Treating Degenerative Bone and Joint Diseases  Beijing China"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2026,1,8]]},"reference":[{"key":"e_1_2_10_2_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.abb.2018.01.004"},{"key":"e_1_2_10_3_1","doi-asserted-by":"publisher","DOI":"10.1056\/NEJMoa2100990"},{"key":"e_1_2_10_4_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.bbamcr.2023.119573"},{"key":"e_1_2_10_5_1","doi-asserted-by":"publisher","DOI":"10.1007\/s00011-023-01784-2"},{"key":"e_1_2_10_6_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.arr.2024.102323"},{"key":"e_1_2_10_7_1","doi-asserted-by":"publisher","DOI":"10.1016\/S2665-9913(23)00098-X"},{"key":"e_1_2_10_8_1","doi-asserted-by":"publisher","DOI":"10.3390\/ijms23126460"},{"key":"e_1_2_10_9_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41598-021-83913-7"},{"key":"e_1_2_10_10_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41413-024-00397-7"},{"issue":"1","key":"e_1_2_10_11_1","first-page":"296","article-title":"Quantitative Identification of TCM Q\u2010Markers Based on Analytical Hierarchy and the Entropy Weight Comprehensive Method by Taking Shaoyao Gancao Decoction as an Example","volume":"56","author":"Feng L.\u2010M.","year":"2021","journal-title":"Acta Pharmaceutica Sinica"},{"key":"e_1_2_10_12_1","doi-asserted-by":"publisher","DOI":"10.1136\/bmj.39489.470347.AD"},{"key":"e_1_2_10_13_1","doi-asserted-by":"publisher","DOI":"10.3390\/antiox13030312"},{"key":"e_1_2_10_14_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.vph.2017.05.005"},{"key":"e_1_2_10_15_1","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkw1092"},{"key":"e_1_2_10_16_1","doi-asserted-by":"publisher","DOI":"10.3389\/fphar.2022.956355"},{"issue":"21","key":"e_1_2_10_17_1","first-page":"5704","article-title":"Bushen Huoxue Decoction Regulates ADSCs\u2010Exos to Affect Nucleus Pulposus Cell Apoptosis and ERK Signaling Pathway in Intervertebral Disc Degeneration","volume":"49","author":"Li Z.\u2010Y.","year":"2024","journal-title":"Zhongguo Zhong Yao Za Zhi"},{"key":"e_1_2_10_18_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.phymed.2018.03.006"},{"key":"e_1_2_10_19_1","doi-asserted-by":"publisher","DOI":"10.1172\/jci.insight.164875"},{"key":"e_1_2_10_20_1","doi-asserted-by":"publisher","DOI":"10.3390\/ijms24010208"},{"key":"e_1_2_10_21_1","doi-asserted-by":"publisher","DOI":"10.1002\/jor.22320"},{"key":"e_1_2_10_22_1","doi-asserted-by":"publisher","DOI":"10.1038\/86783"},{"key":"e_1_2_10_23_1","doi-asserted-by":"publisher","DOI":"10.1186\/s13059-019-1758-4"},{"key":"e_1_2_10_24_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.trac.2023.116954"},{"key":"e_1_2_10_25_1","doi-asserted-by":"publisher","DOI":"10.3389\/fimmu.2021.654259"},{"key":"e_1_2_10_26_1","doi-asserted-by":"publisher","DOI":"10.3389\/fpubh.2023.1156749"},{"key":"e_1_2_10_27_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.cub.2014.03.034"},{"key":"e_1_2_10_28_1","doi-asserted-by":"publisher","DOI":"10.1002\/jmri.28145"},{"key":"e_1_2_10_29_1","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkaa1074"},{"key":"e_1_2_10_30_1","doi-asserted-by":"publisher","DOI":"10.3390\/cells13242103"},{"key":"e_1_2_10_31_1","doi-asserted-by":"publisher","DOI":"10.3389\/fmed.2018.00134"},{"key":"e_1_2_10_32_1","doi-asserted-by":"publisher","DOI":"10.3389\/fnins.2022.990040"},{"key":"e_1_2_10_33_1","doi-asserted-by":"publisher","DOI":"10.3389\/fmicb.2022.997050"},{"key":"e_1_2_10_34_1","doi-asserted-by":"publisher","DOI":"10.1002\/jcb.26760"},{"key":"e_1_2_10_35_1","doi-asserted-by":"publisher","DOI":"10.3390\/ijms26209938"},{"issue":"7","key":"e_1_2_10_36_1","first-page":"627","article-title":"Effect of Serum of Bushen Huoxue Prescription on Rabbit With Intervertebral Disc Motion Segments in Vitro Culture","volume":"31","author":"Zhan J.\u2010W.","year":"2018","journal-title":"Zhongguo Gu Shang"},{"key":"e_1_2_10_37_1","doi-asserted-by":"publisher","DOI":"10.1007\/s11033-025-10538-8"},{"key":"e_1_2_10_38_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.jot.2024.08.016"},{"key":"e_1_2_10_39_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.bioactmat.2024.03.020"}],"container-title":["Biomedical Chromatography"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/analyticalsciencejournals.onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/bmc.70343","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/analyticalsciencejournals.onlinelibrary.wiley.com\/doi\/full-xml\/10.1002\/bmc.70343","content-type":"application\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/analyticalsciencejournals.onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/bmc.70343","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,1,31]],"date-time":"2026-01-31T03:55:32Z","timestamp":1769831732000},"score":1,"resource":{"primary":{"URL":"https:\/\/analyticalsciencejournals.onlinelibrary.wiley.com\/doi\/10.1002\/bmc.70343"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,1,8]]},"references-count":38,"journal-issue":{"issue":"2","published-print":{"date-parts":[[2026,2]]}},"alternative-id":["10.1002\/bmc.70343"],"URL":"https:\/\/doi.org\/10.1002\/bmc.70343","archive":["Portico"],"relation":{},"ISSN":["0269-3879","1099-0801"],"issn-type":[{"value":"0269-3879","type":"print"},{"value":"1099-0801","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026,1,8]]},"assertion":[{"value":"2025-10-25","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication History"}},{"value":"2025-12-16","order":2,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication History"}},{"value":"2026-01-08","order":3,"name":"published","label":"Published","group":{"name":"publication_history","label":"Publication History"}}],"article-number":"e70343"}}