{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,8]],"date-time":"2026-09-08T09:09:22Z","timestamp":1788858562556,"version":"build-2803163510"},"reference-count":30,"publisher":"Wiley","issue":"8","license":[{"start":{"date-parts":[[2026,8,3]],"date-time":"2026-08-03T00:00:00Z","timestamp":1785715200000},"content-version":"vor","delay-in-days":2,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"},{"start":{"date-parts":[[2026,8,1]],"date-time":"2026-08-01T00:00:00Z","timestamp":1785542400000},"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":[[2026,8]]},"abstract":"<jats:title>ABSTRACT<\/jats:title>\n                  <jats:p>\n                    This study aimed to investigate the anti\u2010inflammatory effects of the aqueous extract of\n                    <jats:italic>Pogostemon cablin<\/jats:italic>\n                    and map the network of its main active ingredients, key targets, and signaling pathways. The chemical components of the extract were analyzed via ultra\u2010performance liquid chromatography coupled with quadrupole time\u2010of\u2010flight mass spectrometry (UPLC\u2010Q\/TOF\u2010MS), and its anti\u2010inflammatory activity was verified using a zebrafish model. The target sites and signaling pathways of these chemical components were identified through bioinformatics analysis, while molecular interactions were simulated via molecular docking and molecular dynamics (MD) simulations. A total of 41 compounds were identified from the\n                    <jats:italic>Pogostemon cablin<\/jats:italic>\n                    aqueous extract, all of which exhibited significant anti\u2010inflammatory effects in zebrafish. The key targets were confirmed as the ESR1, PTGER2, MMP3, MMP9, and PTGS2 proteins, which are involved in biological functions such as zinc ion binding, enzyme binding, and steroid binding. These key targets also regulate the lipid and atherosclerosis pathway and the estrogen signaling pathway, both of which are closely associated with the anti\u2010inflammatory process. Network pharmacology effectively elucidated the potential molecular mechanism underlying the anti\u2010inflammatory activity of the\n                    <jats:italic>Pogostemon cablin<\/jats:italic>\n                    aqueous extract, as well as the regulatory network between its key targets and active ingredients. These findings provide scientific evidence for the anti\u2010inflammatory activity of\n                    <jats:italic>Pogostemon cablin<\/jats:italic>\n                    aqueous extract and support its potential application in anti\u2010inflammatory and soothing cosmetics.\n                  <\/jats:p>","DOI":"10.1002\/cbdv.71469","type":"journal-article","created":{"date-parts":[[2026,8,3]],"date-time":"2026-08-03T08:32:41Z","timestamp":1785745961000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Anti\u2010Inflammatory Material Basis of\n                    <i>Pogostemon cablin<\/i>\n                    Aqueous Extract: Integrating Zebrafish Modeling, Network Pharmacology, and Molecular Dynamics"],"prefix":"10.1002","volume":"23","author":[{"given":"Le","family":"Li","sequence":"first","affiliation":[{"name":"College of Chemical and Pharmaceutical Sciences Northwest A&amp;F University  Yangling China"},{"name":"Key Laboratory of Xinjiang Phytomedicine Resource and Utilization, Ministry of Education, Department of Pharmacology Shihezi University  Shihezi China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Renjie","family":"Fang","sequence":"additional","affiliation":[{"name":"College of Pharmacy Jinan University  Guangzhou China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Dongdong","family":"Yang","sequence":"additional","affiliation":[{"name":"College of Pharmacy Jinan University  Guangzhou China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Haichuan","family":"Xiao","sequence":"additional","affiliation":[{"name":"College of Pharmacy Jinan University  Guangzhou China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jiahao","family":"Li","sequence":"additional","affiliation":[{"name":"College of Pharmacy Jinan University  Guangzhou China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Enpan","family":"Mo","sequence":"additional","affiliation":[{"name":"Dermatology Hospital of Southern Medical University  Guangzhou China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Qiutong","family":"Tan","sequence":"additional","affiliation":[{"name":"Dermatology Hospital of Southern Medical University  Guangzhou China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7355-4627","authenticated-orcid":false,"given":"Haishan","family":"Zhao","sequence":"additional","affiliation":[{"name":"Guangdong Cardiovascular Institute, Guangdong Provincial Key Laboratory of South China Structural Heart Disease, Guangdong Provincial People's Hospital, Guangdong Academy of Medical Sciences Southern Medical University  Guangzhou China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jun","family":"Xu","sequence":"additional","affiliation":[{"name":"College of Pharmacy Jinan University  Guangzhou China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3135-8542","authenticated-orcid":false,"given":"Shiguo","family":"Sun","sequence":"additional","affiliation":[{"name":"College of Chemical and Pharmaceutical Sciences Northwest A&amp;F University  Yangling China"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2026,8,3]]},"reference":[{"key":"e_1_2_14_2_1","unstructured":"China Pharmacopoeia Committee.Pharmacopoeia of the People's Republic of China vol.1 Chemical Industry Press (2020) pp.46."},{"issue":"2","key":"e_1_2_14_3_1","first-page":"7","article-title":"Phytochemical, Pharmacological Importance Of Patchouli [Pogostemon cablin (Blanco) Benth.] an Aromatic Medicinal Plant","volume":"21","author":"Chakrapani P.","year":"2013","journal-title":"International Journal of Pharmaceutical Science Reviews & Research"},{"key":"e_1_2_14_4_1","doi-asserted-by":"publisher","DOI":"10.3892\/IJMM.2015.2401"},{"issue":"2","key":"e_1_2_14_5_1","first-page":"243","article-title":"An Introduction to Patchouli (Pogostemon cablin Benth.)\u2013A Medicinal and Aromatic Plant: It's Importance to Mankind","volume":"15","author":"Ramya H. 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