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Greenhouse assays against Phakopsora pachyrhizi identified FM-12818 (B5) as a leading thioether derivative, with an EC50 of 0.45 mg\u00b7L\u20131, comparable to flufenoxadiazam (0.49 mg\u00b7L\u20131). FM-12818 also provided 80% control of Puccinia triticina at 0.391 mg\u00b7L\u20131 under the tested conditions. Docking to a human HDAC4 surrogate and DFT calculations suggested a putative zinc-binding orientation and linker-dependent electronic differences, including a possible \u03c0\u2013sulfur contact. These computational observations generate hypotheses for the structure\u2013activity relationship but do not establish HDAC inhibition or a distinct mode of action. FM-12818, therefore, represents a potent greenhouse lead for further target validation, field efficacy, and safety studies.<\/jats:p>","DOI":"10.1021\/acs.jafc.5c17735","type":"journal-article","created":{"date-parts":[[2026,9,1]],"date-time":"2026-09-01T12:36:14Z","timestamp":1788266174000},"page":"27487-27496","source":"Crossref","is-referenced-by-count":0,"title":["Scaffold Hopping-Driven\nDiscovery of Novel Thioether\nFungicides: Design, SAR, and Computational Insights into Structure\u2013Activity\nRelationships"],"prefix":"10.1021","volume":"74","author":[{"ORCID":"https:\/\/orcid.org\/0009-0008-4814-9628","authenticated-orcid":true,"given":"Yuandong","family":"Liu","sequence":"first","affiliation":[{"name":"Shenyang University of Chemical Technology , , ,","place":["Shenyang, China, 110142"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jialin","family":"Ye","sequence":"additional","affiliation":[{"name":"Shenyang University of Chemical Technology , , ,","place":["Shenyang, China, 110142"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yuxin","family":"Huang","sequence":"additional","affiliation":[{"name":"Shenyang University of Chemical Technology , , ,","place":["Shenyang, China, 110142"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4952-3550","authenticated-orcid":true,"given":"Jing","family":"Zhang","sequence":"additional","affiliation":[{"name":"Shenyang University of Chemical Technology , , ,","place":["Shenyang, China, 110142"]},{"name":"Metisa Biotechnology Co., Ltd. , ,","place":["Nanning, China, 530000"]},{"name":"University of Science and Technology Liaoning , , , ,","place":["Anshan, Liaoning, China, 114051"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Lixin","family":"Zhang","sequence":"additional","affiliation":[{"name":"Shenyang University of Chemical Technology , , ,","place":["Shenyang, China, 110142"]},{"name":"Metisa Biotechnology Co., Ltd. , ,","place":["Nanning, China, 530000"]},{"name":"University of Science and Technology Liaoning , , , ,","place":["Anshan, Liaoning, China, 114051"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2026,8,26]]},"reference":[{"key":"2026090917070302900_cit1","doi-asserted-by":"publisher","first-page":"36","DOI":"10.18406\/2316-1817v13n120211535","article-title":"Fungicide management\nin the Asian soybean rust","volume":"13","author":"Viegas Neto","year":"2021","journal-title":"Rev. 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