{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,6,19]],"date-time":"2026-06-19T06:21:22Z","timestamp":1781850082402,"version":"3.54.5"},"reference-count":38,"publisher":"Wiley","issue":"7","license":[{"start":{"date-parts":[[2025,3,29]],"date-time":"2025-03-29T00:00:00Z","timestamp":1743206400000},"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"],"published-print":{"date-parts":[[2025,7]]},"abstract":"<jats:title>ABSTRACT<\/jats:title><jats:p>Inspired by natural quinoline, a series of novel quinoline derivatives containing thioether groups were designed and synthesized. All target compounds were characterized using <jats:sup>1<\/jats:sup>H NMR, <jats:sup>13<\/jats:sup>C NMR, and high\u2010resolution mass spectrometry (HRMS). Their antifungal activities were evaluated in vitro against 10 phytopathogenic fungi. Among the synthesized compounds, <jats:bold>3l<\/jats:bold> (4\u2010(allylthio)\u20108\u2010fluoro\u20102,3\u2010dimethylquinoline) exhibited significant antifungal activity, with inhibition rates exceeding 80% against <jats:italic>Sclerotinia sclerotiorum<\/jats:italic> and <jats:italic>Physalospora piricola<\/jats:italic> at 50\u00a0\u00b5g\/mL. The structure\u2013activity relationship (SAR) analysis revealed that the presence of an alkene group in the thioether side chain enhanced antifungal activity. Molecular docking studies with <jats:italic>Sclerotinia sclerotiorum<\/jats:italic> dihydroorotate dehydrogenase (SsDHODH) indicated that <jats:bold>3l<\/jats:bold> forms a hydrogen bond with His89, whereas density functional theory (DFT) calculations provided insights into the electronic properties of the compounds. Additionally, absorption, distribution, metabolism, excretion, and toxicity (ADMET) predictions suggested that <jats:bold>3l<\/jats:bold> has favorable pharmacokinetic properties, similar to the commercial fungicide tebufloquin. These findings highlight the potential of <jats:bold>3l<\/jats:bold> as a lead compound for further development of novel antifungal agents.<\/jats:p>","DOI":"10.1002\/cbdv.202500069","type":"journal-article","created":{"date-parts":[[2025,3,12]],"date-time":"2025-03-12T07:09:51Z","timestamp":1741763391000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":6,"title":["Synthesis, Antifungal Activity, and In Silico Study of Novel Quinoline Thioether Derivatives Inspired by Natural Quinoline"],"prefix":"10.1002","volume":"22","author":[{"given":"Li\u2010Jing","family":"Min","sequence":"first","affiliation":[{"name":"College of Life Science, Key Laboratory of Vector Biology and Pathogen Control of Zhejiang Province Huzhou University  Huzhou Zhejiang China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Wei","family":"Yu","sequence":"additional","affiliation":[{"name":"College of Chemical Engineering Zhejiang University of Technology  Hangzhou Zhejiang China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Liang","family":"Han","sequence":"additional","affiliation":[{"name":"College of Chemical Engineering Zhejiang University of Technology  Hangzhou Zhejiang China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Na\u2010Bo","family":"Sun","sequence":"additional","affiliation":[{"name":"College of Biology and Environmental Engineering Zhejiang Shuren University  Hangzhou Zhejiang China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Li\u2010Qin","family":"Zhang","sequence":"additional","affiliation":[{"name":"College of Life Science, Key Laboratory of Vector Biology and Pathogen Control of Zhejiang Province Huzhou University  Huzhou Zhejiang China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1464-1426","authenticated-orcid":false,"given":"Xing\u2010Hai","family":"Liu","sequence":"additional","affiliation":[{"name":"College of Chemical Engineering Zhejiang University of Technology  Hangzhou Zhejiang China"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2025,3,29]]},"reference":[{"key":"e_1_2_9_2_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.biocontrol.2017.11.006"},{"key":"e_1_2_9_3_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jafc.4c09039"},{"key":"e_1_2_9_4_1","doi-asserted-by":"publisher","DOI":"10.1002\/ps.4055"},{"key":"e_1_2_9_5_1","doi-asserted-by":"publisher","DOI":"10.1111\/cbdd.14044"},{"key":"e_1_2_9_6_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejmech.2016.07.007"},{"key":"e_1_2_9_7_1","doi-asserted-by":"publisher","DOI":"10.6023\/cjoc201504025"},{"key":"e_1_2_9_8_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejmech.2017.07.004"},{"key":"e_1_2_9_9_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jafc.0c07538"},{"key":"e_1_2_9_10_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejmech.2017.10.046"},{"key":"e_1_2_9_11_1","doi-asserted-by":"publisher","DOI":"10.1002\/jhet.3515"},{"key":"e_1_2_9_12_1","first-page":"243","article-title":"New Quinoline Carbonate Derivatives With Perfluoroisopropyl Hybrid: Design, Synthesis, and Fungicidal Activity","volume":"29","author":"Cai P. 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