{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,27]],"date-time":"2026-09-27T20:58:06Z","timestamp":1790542686630,"version":"4.1.0"},"reference-count":29,"publisher":"Wiley","issue":"9","license":[{"start":{"date-parts":[[2026,9,22]],"date-time":"2026-09-22T00:00:00Z","timestamp":1790035200000},"content-version":"vor","delay-in-days":21,"URL":"http:\/\/creativecommons.org\/licenses\/by-nc-nd\/4.0\/"},{"start":{"date-parts":[[2026,9,1]],"date-time":"2026-09-01T00:00:00Z","timestamp":1788220800000},"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":[[2026,9]]},"abstract":"<jats:title>ABSTRACT<\/jats:title>\n                  <jats:p>\n                    The current study offers an integrated in vitro and in silico evaluation of the chemical composition and biological activities of the essential oils from\n                    <jats:italic>Broussonetia papyrifera<\/jats:italic>\n                    (L.) Vent. stem bark and leaves, collected in Vietnam. The oils were predominant by oxygenated sesquiterpenes. Major compounds in the stem bark oil included (\n                    <jats:italic>Z<\/jats:italic>\n                    )\u2010dihydro\u2010apofarnesol (13.84%), ishwarane (8.96%), spathulenol (7.87%), palmitic acid (7.58%), and (\n                    <jats:italic>E<\/jats:italic>\n                    )\u2010dihydro\u2010apofarnesol (6.71%), while the leaf oil was characterized by spathulenol (34.78%),\n                    <jats:italic>n<\/jats:italic>\n                    \u2010hexanol (16.64%), ishwarane (7.33%), and (\n                    <jats:italic>Z<\/jats:italic>\n                    )\u2010dihydro\u2010apofarnesol (6.41%).\n                    <jats:italic>B. papyrifera<\/jats:italic>\n                    essential oils showed moderate cytotoxicity against MCF\u20107 and HepG2 cancer cell lines, with IC\n                    <jats:sub>50<\/jats:sub>\n                    values of 33.2\u201356.3\u00a0\u00b5g\/mL. The oils strongly scavenged DPPH radicals with IC\n                    <jats:sub>50<\/jats:sub>\n                    values of 33.15\u201347.83\u00a0\u00b5g\/mL, as well as remarkably inhibited nitric oxide (NO) and prostaglandin E2 (PGE2) production with IC\n                    <jats:sub>50<\/jats:sub>\n                    values of 24.15\u201388.70\u00a0\u00b5g\/mL. In silico ADME and toxicity predictions indicated favorable drug\u2010likeness, good gastrointestinal absorption, and low toxicological risk for the major compounds. Molecular docking revealed stable binding of the major compounds to protein targets cyclooxygenase\u20101 (COX\u20101), COX\u20102, 5\u2010lipoxygenase (5\u2010LOX), and xanthine oxidase (XO), with binding energies ranging from \u22124.3 to \u22128.0\u00a0kcal\/mol. Collectively,\n                    <jats:italic>B. papyrifera<\/jats:italic>\n                    essential oils are promising sources of bioactive compounds with antioxidant and anti\u2010inflammatory potential.\n                  <\/jats:p>","DOI":"10.1002\/cbdv.71730","type":"journal-article","created":{"date-parts":[[2026,9,23]],"date-time":"2026-09-23T05:46:31Z","timestamp":1790142391000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Essential Oil Compositions and Biological Activities of\n                    <i>Broussonetia papyrifera<\/i>\n                    Aerial Parts: An Integrated In Vitro and In Silico Study"],"prefix":"10.1002","volume":"23","author":[{"given":"Ty Viet","family":"Pham","sequence":"first","affiliation":[{"name":"Faculty of Chemistry University of Education Hue University  Hue Vietnam"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Nguyen Thi","family":"Thoa","sequence":"additional","affiliation":[{"name":"Faculty of Chemical Technology Hanoi University of Industry  Tay Tuu Hanoi Vietnam"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Nguyen Thi","family":"Huong","sequence":"additional","affiliation":[{"name":"Faculty of Chemical Technology Hanoi University of Industry  Tay Tuu Hanoi Vietnam"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Le The","family":"Hoai","sequence":"additional","affiliation":[{"name":"Faculty of Chemical Technology Hanoi University of Industry  Tay Tuu Hanoi Vietnam"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Tran Quang","family":"Hai","sequence":"additional","affiliation":[{"name":"Faculty of Chemical Technology Hanoi University of Industry  Tay Tuu Hanoi Vietnam"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2543-0248","authenticated-orcid":false,"given":"Shaza W.","family":"Shantier","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Chemistry Faculty of Pharmacy University of Khartoum  Khartoum Sudan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2948-6385","authenticated-orcid":false,"given":"Nguyen Thi Kim","family":"Thanh","sequence":"additional","affiliation":[{"name":"Faculty of Biology University of Science VNU  Nguyen Trai Hanoi Vietnam"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Phan Hong","family":"Minh","sequence":"additional","affiliation":[{"name":"Department of Pharmacology University of Medicine and Pharmacy Vietnam National University  Cau Giay Hanoi Vietnam"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Huynh Thi Ngoc","family":"Ni","sequence":"additional","affiliation":[{"name":"Faculty of Education Ha Tinh University, Cam Binh, Hatinh, Vietnam"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Vo Thi","family":"Dung","sequence":"additional","affiliation":[{"name":"Faculty of Agriculture Forestry and Fishery, Nghe An University  Nghean Vietnam"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7374-5914","authenticated-orcid":false,"given":"Ninh The","family":"Son","sequence":"additional","affiliation":[{"name":"Institute of Chemistry Vietnam Academy of Science and Technology (VAST)  Nghia Do Hanoi Vietnam"},{"name":"Department of Medicine and Pharmacy University of Science and Technology of Hanoi (USTH) Vietnam Academy of Science and Technology (VAST)  Nghia Do Hanoi Vietnam"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2026,9,22]]},"reference":[{"key":"e_1_2_10_2_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.bioorg.2020.104298"},{"key":"e_1_2_10_3_1","doi-asserted-by":"publisher","DOI":"10.3390\/plants14040523"},{"key":"e_1_2_10_4_1","doi-asserted-by":"publisher","DOI":"10.3390\/cosmetics9060112"},{"key":"e_1_2_10_5_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.indcrop.2019.06.008"},{"key":"e_1_2_10_6_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.apjtb.2016.08.015"},{"key":"e_1_2_10_7_1","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pone.0032021"},{"key":"e_1_2_10_8_1","first-page":"3954","article-title":"GC\u2010MS Analysis and Antimicrobial Activity of Seed Oil of Broussonetia papyrifera (L.) 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