{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,21]],"date-time":"2026-10-21T17:39:38Z","timestamp":1792604378825,"version":"4.5.0"},"reference-count":29,"publisher":"Wiley","issue":"10","license":[{"start":{"date-parts":[[2026,10,5]],"date-time":"2026-10-05T00:00:00Z","timestamp":1791158400000},"content-version":"vor","delay-in-days":4,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"},{"start":{"date-parts":[[2026,10,1]],"date-time":"2026-10-01T00:00:00Z","timestamp":1790812800000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/doi.wiley.com\/10.1002\/tdm_license_1.1"}],"content-domain":{"domain":["chemistry-europe.onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["ChemistryOpen"],"published-print":{"date-parts":[[2026,10]]},"abstract":"<jats:p>\n                    Intestinal obstruction (IO) disrupts normal intestinal transit and involves dysmotility, mucosal stress, and inflammation. This computational workflow evaluated a 10\u2010compound\n                    <jats:italic>Trichosanthes kirilowii<\/jats:italic>\n                    docking panel, a filtered disease\u2010target set, MOE docking validation, and 100\u2009ns MOE molecular dynamics and MM\/GBSA endpoint analyses. GeneCards filtering (relevance\u2009&gt;=\u200910) and OMIM curation yielded a primary disease union of 756 genes; 31 targets overlapped with a broadened 203\u2010target herb\u2010associated set, and the overlap was significant by hypergeometric testing (\n                    <jats:italic>p<\/jats:italic>\n                    \u2009=\u20096.38\u2009\u00d7\u200910\n                    <jats:sup>\u221211<\/jats:sup>\n                    ). Docking across ACTB, AKT1, ALB, IL6, MYC, PTGS2, and TNFR1\/TNFRSF1A showed strongest overall performance for \u03b2\u2010D\u2010glucopyranosyl\u2010\u03b1\u2010spinasterol (mean score \u22128.19\u2009kcal\/mol), followed by Stigmast\u20107\u2010en\u20103\u03b2\u2010ol 3\u2010O\u2010\u03b2\u2010D\u2010glucopyranoside, Cucurbitacin B, Bryonolic acid, and Cucurbitacin D. Redocking validation passed for ACTB, AKT1, ALB, PTGS2, and TNFR1, while IL6 and MYC were evaluated using alternative site validation. These results support a multicompound, multitarget hypothesis requiring experimental confirmation.\n                  <\/jats:p>","DOI":"10.1002\/open.70312","type":"journal-article","created":{"date-parts":[[2026,10,6]],"date-time":"2026-10-06T04:44:51Z","timestamp":1791261891000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Elucidating the MultiPathway Therapeutic Potential of\n                    <i>Trichosanthes kirilowii<\/i>\n                    Bioactives in Intestinal Obstruction via Network Pharmacology and Molecular Dynamics"],"prefix":"10.1002","volume":"15","author":[{"given":"Tianying","family":"Wu","sequence":"first","affiliation":[{"name":"Department of Traditional Chinese Medicine Zhangzhou Affiliated Hospital of Fujian Medical University  Zhangzhou China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Xiaofen","family":"Lin","sequence":"additional","affiliation":[{"name":"Department of Geriatrics Zhangzhou Affiliated Hospital of Fujian Medical University  Zhangzhou China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Wencong","family":"Lin","sequence":"additional","affiliation":[{"name":"Department of Oncology Zhangzhou Affiliated Hospital of Fujian Medical University  Zhangzhou China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Lixia","family":"Huang","sequence":"additional","affiliation":[{"name":"Department of Nuclear Medicine Zhangzhou Affiliated Hospital of Fujian Medical University  Zhangzhou China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0004-2157-2005","authenticated-orcid":false,"given":"Yuewu","family":"Lin","sequence":"additional","affiliation":[{"name":"Department of Geriatrics Zhangzhou Affiliated Hospital of Fujian Medical University  Zhangzhou China"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2026,10,5]]},"reference":[{"key":"e_1_2_11_2_1","doi-asserted-by":"publisher","DOI":"10.1002\/ncp.2019.34.issue\u20101"},{"key":"e_1_2_11_3_1","doi-asserted-by":"publisher","DOI":"10.5582\/bst.2024.01036"},{"key":"e_1_2_11_4_1","doi-asserted-by":"publisher","DOI":"10.3389\/fmicb.2025.1672600"},{"key":"e_1_2_11_5_1","doi-asserted-by":"publisher","DOI":"10.1186\/s13017\u2010018\u20100185\u20102"},{"key":"e_1_2_11_6_1","doi-asserted-by":"publisher","DOI":"10.1097\/MOG.0000000000000924"},{"key":"e_1_2_11_7_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.phrs.2019.04.010"},{"key":"e_1_2_11_8_1","doi-asserted-by":"publisher","DOI":"10.2147\/JIR.S456353"},{"key":"e_1_2_11_9_1","doi-asserted-by":"publisher","DOI":"10.1002\/ptr.v38.4"},{"key":"e_1_2_11_10_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.heliyon.2024.e38051"},{"key":"e_1_2_11_11_1","doi-asserted-by":"publisher","DOI":"10.1186\/s12967\u2010025\u201006122\u20100"},{"key":"e_1_2_11_12_1","doi-asserted-by":"publisher","DOI":"10.1002\/ibd.20148"},{"key":"e_1_2_11_13_1","doi-asserted-by":"publisher","DOI":"10.1111\/febs.v292.3"},{"key":"e_1_2_11_14_1","doi-asserted-by":"publisher","DOI":"10.1152\/ajpgi.00379.2010"},{"key":"e_1_2_11_15_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41388\u2010019\u20100768\u20108"},{"key":"e_1_2_11_16_1","doi-asserted-by":"publisher","DOI":"10.1186\/s13020\u2010024\u201001056\u2010z"},{"key":"e_1_2_11_17_1","doi-asserted-by":"publisher","DOI":"10.1248\/yakushi1947.109.4_250"},{"issue":"7","key":"e_1_2_11_18_1","first-page":"922","article-title":"Chemical constituents of Trichosanthes kirilowii Maxim","volume":"47","author":"Sun X. 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