{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,13]],"date-time":"2026-10-13T18:26:21Z","timestamp":1791915981734,"version":"4.3.4"},"reference-count":71,"publisher":"Wiley","issue":"5","license":[{"start":{"date-parts":[[2026,5,5]],"date-time":"2026-05-05T00:00:00Z","timestamp":1777939200000},"content-version":"vor","delay-in-days":4,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"},{"start":{"date-parts":[[2026,5,1]],"date-time":"2026-05-01T00:00:00Z","timestamp":1777593600000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/doi.wiley.com\/10.1002\/tdm_license_1.1"}],"content-domain":{"domain":["onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Chemistry &amp; Biodiversity"],"published-print":{"date-parts":[[2026,5]]},"abstract":"<jats:title>ABSTRACT<\/jats:title>\n                  <jats:p>\n                    Hepatocellular carcinoma (HCC) is one of the most prevalent malignant tumors worldwide. Both experimental and clinical studies confirm the anti\u2010HCC effects of Yiguanjian (\n                    <jats:italic>YGJ<\/jats:italic>\n                    ), though its material basis and pharmacological mechanisms remain unclear. This study integrated UHPLC\u2010Q\u2010TOF\u2010MS with network pharmacology, molecular docking, and MDS to explore\n                    <jats:italic>YGJ<\/jats:italic>\n                    \u2019s potential anti\u2010HCC mechanisms and active ingredients. In vitro analysis identified 96 chemical constituents in the\n                    <jats:italic>YGJ<\/jats:italic>\n                    extract, while network pharmacology revealed 57 potential targets and 51 bioactive compounds related to HCC treatment. The top nine key targets were AKT1, CTNNB1, EGFR, IL6, STAT3, BCL2, CASP3, MMP9, and TNF\u2010\u03b1; the top seven active compounds included kaempferol, quercetin, luteolin, senkyunolide O, jasmolone, azaron, and dihydroartemisinin. These components may regulate HCC cell processes like gene expression, signal transduction, proliferation, apoptosis, and angiogenesis through pathways such as PI3K\u2010Akt, TNF signaling pathway, and HIF\u20101 signaling pathway. Molecular docking and MDS showed that kaempferol, quercetin, luteolin, and dihydroartemisinin bind favorably to TNF\u2010\u03b1, MMP9, BCL2, and IL6 proteins. Therefore, these proteins may serve as\n                    <jats:italic>YGJ<\/jats:italic>\n                    \u2019s therapeutic targets, while the compounds contribute to its pharmacological effects.\n                  <\/jats:p>","DOI":"10.1002\/cbdv.71293","type":"journal-article","created":{"date-parts":[[2026,5,6]],"date-time":"2026-05-06T05:16:31Z","timestamp":1778044591000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":1,"title":["Integrating UHPLC\u2010Q\u2010TOF\u2010MS, Network Pharmacology, Molecular Docking, and Molecular Dynamics Simulations to Reveal the Potential Mechanisms of Yiguanjian Decoction in Treating Liver Cancer"],"prefix":"10.1002","volume":"23","author":[{"ORCID":"https:\/\/orcid.org\/0009-0003-9614-0613","authenticated-orcid":false,"given":"Xiaoli","family":"Wen","sequence":"first","affiliation":[{"name":"Jiangxi University of Chinese Medicine  Nanchang Jiangxi China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Xinyuan","family":"Zhang","sequence":"additional","affiliation":[{"name":"Jiangxi University of Chinese Medicine  Nanchang Jiangxi China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Wen","family":"Fang","sequence":"additional","affiliation":[{"name":"Jiangxi University of Chinese Medicine  Nanchang Jiangxi China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Hongning","family":"Liu","sequence":"additional","affiliation":[{"name":"Jiangxi University of Chinese Medicine  Nanchang Jiangxi China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Fangyan","family":"Cai","sequence":"additional","affiliation":[{"name":"Nanchang Medical College  Nanchang Jiangxi China"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2026,5,5]]},"reference":[{"key":"e_1_2_11_2_1","doi-asserted-by":"publisher","DOI":"10.3322\/caac.21834"},{"key":"e_1_2_11_3_1","doi-asserted-by":"publisher","DOI":"10.1159\/000509424"},{"key":"e_1_2_11_4_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.bbcan.2019.188314"},{"key":"e_1_2_11_5_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41571\u2010021\u201000573\u20102"},{"key":"e_1_2_11_6_1","first-page":"1435","article-title":"A Preliminary Study on the Pathogenic Characteristics of Tumors and Their Association with Yin Deficiency Pathogenesis","volume":"26","author":"Rao B.","year":"2015","journal-title":"Journal of Li\u2010shizhen Traditional Chinese Medicine"},{"key":"e_1_2_11_7_1","first-page":"585","article-title":"Exploration of the Mechanism and Clinical Application of Yiguan Jian in Treating Advanced Hepatocellular Carcinoma","volume":"16","author":"Pan G. F.","year":"2004","journal-title":"Clinical Journal of Traditional Chinese Medicine"},{"key":"e_1_2_11_8_1","first-page":"100","article-title":"Effect of Yiguanjian on JAK1\/STAT1 Signaling Pathway and Expression of Downstream Apoptosis Related Proteins in Liver Cancer","volume":"23","author":"Xie B.","year":"2017","journal-title":"Chinese Journal of Experimental Traditional Medical Formulae"},{"key":"e_1_2_11_9_1","first-page":"1824","article-title":"The Effect of Yiguan Jian on EGF\uff32 Signaling Pathway and Expression of Invasion and Metastasis Related Proteins in Liver Cancer","volume":"32","author":"Xie B.","year":"2017","journal-title":"Acta Chinese Medicine"},{"key":"e_1_2_11_10_1","first-page":"2102","article-title":"The Effect of Yiguan Jian Combined with Cyclophosphamide on the Expression of VEGF and VEGFR2 Proteins in Liver Cancer","volume":"26","author":"Xie B.","year":"2015","journal-title":"Journal of Li\u2010shizhen Traditional Chinese Medicine"},{"key":"e_1_2_11_11_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jafc.6b05821"},{"key":"e_1_2_11_12_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.apsb.2022.08.022"},{"key":"e_1_2_11_13_1","doi-asserted-by":"publisher","DOI":"10.1097\/MD.0000000000036220"},{"key":"e_1_2_11_14_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.jep.2022.115876"},{"key":"e_1_2_11_15_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.phymed.2021.153637"},{"key":"e_1_2_11_16_1","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pone.0289121"},{"key":"e_1_2_11_17_1","doi-asserted-by":"publisher","DOI":"10.1002\/pca.3194"},{"key":"e_1_2_11_18_1","doi-asserted-by":"publisher","DOI":"10.1186\/s12906\u2010024\u201004637\u20105"},{"key":"e_1_2_11_19_1","doi-asserted-by":"publisher","DOI":"10.2147\/DDDT.S357483"},{"key":"e_1_2_11_20_1","doi-asserted-by":"publisher","DOI":"10.1038\/srep42717"},{"key":"e_1_2_11_21_1","doi-asserted-by":"publisher","DOI":"10.3390\/ph16101476"},{"key":"e_1_2_11_22_1","first-page":"25","article-title":"Pharmacological Effects and Underlying Mechanisms of Licorice\u2010Derived Flavonoids","volume":"2022","author":"Wu Y.","year":"2022","journal-title":"Evidence\u2010Based Complementary and Alternative Medicine"},{"key":"e_1_2_11_23_1","doi-asserted-by":"publisher","DOI":"10.1111\/nyas.13350"},{"key":"e_1_2_11_24_1","doi-asserted-by":"publisher","DOI":"10.3389\/fphar.2023.1275244"},{"key":"e_1_2_11_25_1","first-page":"666","article-title":"Analysis of Chemical Components of Shenqi Tiaoshen Formula","volume":"34","author":"Yin D. 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