{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,14]],"date-time":"2026-03-14T13:13:27Z","timestamp":1773494007472,"version":"3.50.1"},"reference-count":91,"publisher":"Wiley","issue":"12","license":[{"start":{"date-parts":[[2025,10,22]],"date-time":"2025-10-22T00:00:00Z","timestamp":1761091200000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"},{"start":{"date-parts":[[2025,10,22]],"date-time":"2025-10-22T00:00:00Z","timestamp":1761091200000},"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;amp; Biodiversity"],"published-print":{"date-parts":[[2025,12]]},"abstract":"<jats:title>ABSTRACT<\/jats:title>\n                  <jats:p>\n                    Comorbidities, associated with higher rates of disability and mortality, have emerged as a global focus and a significant challenge. Psoriasis (PSO) and inflammatory bowel disease (IBD) are autoimmune disorders with frequent comorbidity and shared inflammatory pathways, yet targeted therapies remain limited. Utilizing an integrated approach combining network pharmacology, bioinformatics, machine learning, molecular docking, and in vitro experiments, we investigated\n                    <jats:italic>Hansenia weberbaueriana<\/jats:italic>\n                    (HW) for its potential to treat the comorbidity of PSO and IBD. Bioinformatics analysis identified 38 intersecting genes between PSO\u2010IBD comorbidity and HW, predominantly enriched in the advanced glycation end\u2010product (AGE)\u2010receptor for AGE (RAGE) signaling pathway. Combining machine learning, weighted gene co\u2010expression network analysis, and molecular docking prioritized PTGS2 (Cyclooxygenase 2 [COX2]) as the top target, with Cnidilin (HW8), a bioactive coumarin derivative from HW, exhibiting high\u2010affinity binding (binding energy: \u20106.418\u00a0kcal\/mol and molecular mechanics\u2010generalized born surface area: \u201035.43\u00a0kcal\/mol). Furthermore, 100\u2010ns molecular dynamics (MD) simulations confirmed stable Cnidilin\u2010PTGS2 interactions (root mean square deviation \u223c2.3 \u00c5). In vitro analysis demonstrated that Cnidilin (10 \u00b5M) significantly suppressed COX2, tumor necrosis factor\u2010alpha, and nitric oxide in RAW 264.7 cells, supporting its multi\u2010target mechanism. This study provided the first evidence supporting the therapeutic role of HW in PSO\u2010IBD comorbidity via COX2 suppression and established a machine learning\u2010driven framework for identifying natural compounds with dual therapeutic potential.\n                  <\/jats:p>","DOI":"10.1002\/cbdv.202502476","type":"journal-article","created":{"date-parts":[[2025,10,22]],"date-time":"2025-10-22T17:52:59Z","timestamp":1761155579000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Phytochemicals From\n                    <i>Hansenia weberbaueriana<\/i>\n                    for Psoriasis and Inflammatory Bowel Disease Comorbidity: Based on Network Pharmacology and In Vitro Analysis"],"prefix":"10.1002","volume":"22","author":[{"given":"Yuhong","family":"Tian","sequence":"first","affiliation":[{"name":"Zhejiang Provincial Engineering Research Center of New Technologies and Applications for Targeted Therapy of Major Diseases Laboratory of Anti\u2010allergy Functional Molecules, College of Life Sciences and Medicine Zhejiang SciTech University  Hangzhou China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Xiujin","family":"Xu","sequence":"additional","affiliation":[{"name":"Zhejiang Provincial Engineering Research Center of New Technologies and Applications for Targeted Therapy of Major Diseases Laboratory of Anti\u2010allergy Functional Molecules, College of Life Sciences and Medicine Zhejiang SciTech University  Hangzhou China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Yujie","family":"Chen","sequence":"additional","affiliation":[{"name":"Zhejiang Provincial Engineering Research Center of New Technologies and Applications for Targeted Therapy of Major Diseases Laboratory of Anti\u2010allergy Functional Molecules, College of Life Sciences and Medicine Zhejiang SciTech University  Hangzhou China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Nabeel Khalid","family":"Bhutta","sequence":"additional","affiliation":[{"name":"Zhejiang Provincial Engineering Research Center of New Technologies and Applications for Targeted Therapy of Major Diseases Laboratory of Anti\u2010allergy Functional Molecules, College of Life Sciences and Medicine Zhejiang SciTech University  Hangzhou China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Xiaoming","family":"Chen","sequence":"additional","affiliation":[{"name":"Institute of Marine Biology and Pharmacology, Ocean College Zhejiang University  Zhoushan China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3616-9409","authenticated-orcid":false,"given":"Bingnan","family":"Han","sequence":"additional","affiliation":[{"name":"Zhejiang Provincial Engineering Research Center of New Technologies and Applications for Targeted Therapy of Major Diseases Laboratory of Anti\u2010allergy Functional Molecules, College of Life Sciences and Medicine Zhejiang SciTech University  Hangzhou China"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"311","published-online":{"date-parts":[[2025,10,22]]},"reference":[{"key":"e_1_2_10_2_1","doi-asserted-by":"publisher","DOI":"10.1016\/s0140\u20106736(18)30941\u20103"},{"key":"e_1_2_10_3_1","doi-asserted-by":"publisher","DOI":"10.1093\/gerona\/glz028"},{"key":"e_1_2_10_4_1","doi-asserted-by":"publisher","DOI":"10.18632\/aging.103070"},{"key":"e_1_2_10_5_1","doi-asserted-by":"publisher","DOI":"10.1093\/gerona\/glz185"},{"key":"e_1_2_10_6_1","doi-asserted-by":"publisher","DOI":"10.1001\/jama.2015.7008"},{"key":"e_1_2_10_7_1","doi-asserted-by":"publisher","DOI":"10.1001\/jamadermatol.2018.3631"},{"key":"e_1_2_10_8_1","doi-asserted-by":"publisher","DOI":"10.1016\/s2468\u20101253(19)30173\u20106"},{"key":"e_1_2_10_9_1","doi-asserted-by":"publisher","DOI":"10.1111\/jdv.12305"},{"key":"e_1_2_10_10_1","doi-asserted-by":"publisher","DOI":"10.1093\/ecco\u2010jcc\/jjz152"},{"key":"e_1_2_10_11_1","first-page":"962","article-title":"Increased Occurrence of Psoriasis in Patients With Crohn's Disease and Their Relatives","volume":"85","author":"Lee F. 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