{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,26]],"date-time":"2026-07-26T16:00:42Z","timestamp":1785081642360,"version":"3.55.0"},"reference-count":32,"publisher":"Wiley","issue":"5","license":[{"start":{"date-parts":[[2026,5,15]],"date-time":"2026-05-15T00:00:00Z","timestamp":1778803200000},"content-version":"vor","delay-in-days":14,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"},{"start":{"date-parts":[[2026,5,1]],"date-time":"2026-05-01T00:00:00Z","timestamp":1777593600000},"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; Biodiversity"],"published-print":{"date-parts":[[2026,5]]},"abstract":"<jats:title>ABSTRACT<\/jats:title>\n                  <jats:p>\n                    <jats:italic>Mercurialis perennis<\/jats:italic>\n                    L. (Euphorbiaceae) is an underexplored perennial herb traditionally used in complementary medicine. This study provides a comprehensive investigation of its leaf essential oil, integrating chemical profiling, in vitro antioxidant evaluation, and computational analyses. The essential oil was obtained by steam distillation and analyzed using gas chromatography\u2013mass spectrometry (GC\u2013MS), leading to the identification of 31 compounds, predominantly sesquiterpene hydrocarbons, with\n                    <jats:italic>\u03b2<\/jats:italic>\n                    \u2010caryophyllene (58.14%) and \u03b3\u2010muurolene (7.80%) as major constituents. The antioxidant activity was assessed using DPPH and hydrogen peroxide scavenging assays, yielding IC\n                    <jats:sub>50<\/jats:sub>\n                    values of 7.15\u00a0\u00b1\u00a02.00\u00a0\u00b5g\/mL and 0.42\u00a0\u00b1\u00a00.05\u00a0\u00b5g\/mL, respectively. The results indicate moderate antioxidant activity of the essential oil. Molecular docking analysis suggested that \u03b3\u2010muurolene may display favorable binding affinities toward selected oxidative stress\u2010related protein targets. Molecular dynamics simulations further indicated the stability of the 9h1m\/\u03b3\u2010muurolene complex, supported by persistent hydrophobic interactions with key residues (PHE41 and HIS170). Overall, these findings suggest that both major and minor constituents of the essential oil may contribute to its observed antioxidant activity. However, the computational results remain predictive and require further experimental validation. This study highlights the potential of\n                    <jats:italic>M. perennis<\/jats:italic>\n                    essential oil as a source of bioactive compounds and provides a basis for future in vivo and mechanistic investigations.\n                  <\/jats:p>","DOI":"10.1002\/cbdv.71337","type":"journal-article","created":{"date-parts":[[2026,5,15]],"date-time":"2026-05-15T13:15:52Z","timestamp":1778850952000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["<i>\u03b2<\/i>\n                    \u2010Caryophyllene\u2010Rich\n                    <i>Mercurialis perennis<\/i>\n                    Leaf Essential Oil: GC\u2013MS Profiling, Antioxidant Activity, Molecular Docking, and Molecular Dynamics Analysis"],"prefix":"10.1002","volume":"23","author":[{"given":"Chika","family":"Attama","sequence":"first","affiliation":[{"name":"Department of Chemistry Adamawa State University  Mubi Adamawa Nigeria"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5069-6737","authenticated-orcid":false,"given":"Jean","family":"No\u00ebl Nyemb","sequence":"additional","affiliation":[{"name":"Department of Refining and Petrochemistry National Advanced School of Mines and Petroleum Industries University of Maroua  Maroua Cameroon"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Lawrence","family":"Luka","sequence":"additional","affiliation":[{"name":"Department of Chemistry Adamawa State College of Education  Hong Adamawa Nigeria"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0007-1874-690X","authenticated-orcid":false,"given":"Herve Landry","family":"Ketsemen","sequence":"additional","affiliation":[{"name":"Department of Organic Chemistry Faculty of Science University of Yaound\u00e9 I  Yaound\u00e9 Cameroon"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5063-1236","authenticated-orcid":false,"given":"Marcello","family":"Iriti","sequence":"additional","affiliation":[{"name":"Department of Biomedical Surgical and Dental Sciences University of Milan  Milan Italy"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Segun Gabriel","family":"Olanipekun","sequence":"additional","affiliation":[{"name":"Department of Biochemistry Federal University of Technology  Minna Nigeria"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2026,5,15]]},"reference":[{"key":"e_1_2_11_2_1","doi-asserted-by":"publisher","DOI":"10.17348\/era.6.0.255\u2010317"},{"key":"e_1_2_11_3_1","doi-asserted-by":"publisher","DOI":"10.2298\/ABS151111011V"},{"key":"e_1_2_11_4_1","doi-asserted-by":"publisher","DOI":"10.3390\/plants8070193"},{"key":"e_1_2_11_5_1","doi-asserted-by":"publisher","DOI":"10.3390\/fermentation5020042"},{"key":"e_1_2_11_6_1","doi-asserted-by":"publisher","DOI":"10.1515\/znc\u20102010\u20103\u2010402"},{"key":"e_1_2_11_7_1","doi-asserted-by":"publisher","DOI":"10.1155\/2016\/6719534"},{"key":"e_1_2_11_8_1","first-page":"29","article-title":"Antioxidant Nutrients: Beneficial or Harmful","volume":"7","author":"Mbata T. 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