{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,2,19]],"date-time":"2026-02-19T08:14:08Z","timestamp":1771488848916,"version":"3.50.1"},"reference-count":32,"publisher":"Wiley","license":[{"start":{"date-parts":[[2025,5,28]],"date-time":"2025-05-28T00:00:00Z","timestamp":1748390400000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"content-domain":{"domain":["onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Chemistry &amp; Biodiversity"],"abstract":"<jats:title>ABSTRACT<\/jats:title><jats:p><jats:italic>Hedyotis diffusa<\/jats:italic>, a widely used medicinal herb in Asia, has underexplored essential oils. This study aimed to analyze the chemical composition and biological activities of essential oils from <jats:italic>H. diffusa<\/jats:italic> aerial parts. Essential oils from stem barks and leaves were examined via gas chromatography\u2010flame ionization detection\/mass spectrometry. Biological activities were assessed using cytotoxicity (MCF7, SK\u2010LU\u20101, and HepG2), antimicrobial (<jats:italic>Bacillus subtilis<\/jats:italic>), nitric oxide (NO) inhibition, antioxidant, and antidiabetic assays. Molecular docking targeted human epidermal growth factor receptor 2 (HER2) and B\u2010cell lymphoma 2 (BCL2) proteins, with Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) profiling predicting pharmacokinetics. Major compounds of the essential oils included hexadecanoic acid (22.7%\u201324.5%), pentadecanal (15.4%\u201316.0%), and (5<jats:italic>E<\/jats:italic>,9<jats:italic>Z<\/jats:italic>)\u2010farnesyl acetone (13.0%), alongside cyclohexyl anthranilate (6.2%) and <jats:italic>cis<\/jats:italic>\u2010phytol (4.8%\u20135.5%). The stem bark essential oil showed strong cytotoxicity (inhibitory concentration of 50% [IC<jats:sub>50<\/jats:sub>]: 10.86\u201314.92\u00a0\u00b5g\/mL) and antimicrobial activity (minimum inhibitory concentration: 32\u00a0\u00b5g\/mL against <jats:italic>B. subtilis<\/jats:italic>), while both essential oils inhibited NO production (IC<jats:sub>50<\/jats:sub>: 36.81\u201340.58\u00a0\u00b5g\/mL) with moderate antioxidative and antidiabetic effects. Docking revealed the affinities of cyclohexyl anthranilate for HER2 (\u0394G: \u20138.423\u00a0kcal\/mol) and (5<jats:italic>E<\/jats:italic>,9<jats:italic>Z<\/jats:italic>)\u2010farnesyl acetone for BCL2 (\u0394G: \u20135.81\u00a0kcal\/mol), with favorable ADMET profiles. Essential oils from Vietnamese <jats:italic>H. diffusa<\/jats:italic> aerial parts exhibit promising bioactivity and pharmacokinetics, supporting traditional use and warranting further medicinal research.<\/jats:p>","DOI":"10.1002\/cbdv.202500010","type":"journal-article","created":{"date-parts":[[2025,5,28]],"date-time":"2025-05-28T17:19:37Z","timestamp":1748452777000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":1,"title":["<i>Hedyotis diffusa<\/i> Aerial Parts: Essential Oil Composition, Biological Activity, and In Silico Approach"],"prefix":"10.1002","author":[{"given":"Vu Minh","family":"Trang","sequence":"first","affiliation":[{"name":"VNU University of Education, Vietnam National University  Hanoi Vietnam"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Ninh The","family":"Son","sequence":"additional","affiliation":[{"name":"Institute of Chemistry, Vietnam Academy of Science and Technology (VAST)  Hanoi Vietnam"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Nguyen Dinh","family":"Luyen","sequence":"additional","affiliation":[{"name":"Institute of Natural Products Chemistry, Vietnam Academy of Science and Technology  Hanoi Vietnam"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Ty Viet","family":"Pham","sequence":"additional","affiliation":[{"name":"Faculty of Chemistry University of Education, Hue University  Hue Vietnam"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Phan Minh","family":"Giang","sequence":"additional","affiliation":[{"name":"Faculty of Chemistry VNU University of Science, Vietnam National University  Hanoi Vietnam"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Pham Anh","family":"Duong","sequence":"additional","affiliation":[{"name":"Faculty of Chemistry VNU University of Science, Vietnam National University  Hanoi Vietnam"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4709-4844","authenticated-orcid":false,"given":"Do Thi Viet","family":"Huong","sequence":"additional","affiliation":[{"name":"Faculty of Chemistry VNU University of Science, Vietnam National University  Hanoi Vietnam"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"311","published-online":{"date-parts":[[2025,5,28]]},"reference":[{"key":"e_1_2_8_2_1","first-page":"1057","volume-title":"Studies in Natural Products Chemistry","author":"Lajis N. 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