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In this study, compound VS-24 was identified from a commercial chemical library using molecular docking-based virtual screening and bioactivity assays. Antifungal tests demonstrated that at a concentration of 50 mg\/L, VS-24 has broad-spectrum inhibitory effects with inhibition rates of 96.0%, 76.7%, 75.3%, and 76.5% against Valsa mali, Botrytis cinerea, Gaeumannomyces graminis, and Magnaporthe oryzae, respectively. Furthermore, VS-24 provided 45.1% protection against V. mali on apple branches at a concentration of 200 mg\/L. Enzyme inhibition assays confirmed its potent inhibitory activity against DHODH. Molecular docking and dynamics simulations further revealed stable binding interactions between VS-24 and DHODH. This study identifies VS-24 as a valuable hit compound, which provides a foundation for developing novel DHODH inhibitors to control plant fungal diseases.<\/jats:p>","DOI":"10.1021\/acs.jafc.6c05474","type":"journal-article","created":{"date-parts":[[2026,9,1]],"date-time":"2026-09-01T15:22:37Z","timestamp":1788276157000},"page":"27416-27426","source":"Crossref","is-referenced-by-count":0,"title":["Discovery of Potential\nFungal Dihydroorotate Dehydrogenase\nInhibitors Via Structure-based Virtual Screening for Plant Disease\nControl"],"prefix":"10.1021","volume":"74","author":[{"given":"Guo-Tai","family":"Lin","sequence":"first","affiliation":[{"name":"Northwest A&F University , , , ,","place":["Yangling, Shaanxi, China, 712100"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jia-Qi","family":"Wu","sequence":"additional","affiliation":[{"name":"Northwest A&F University , , , ,","place":["Yangling, Shaanxi, China, 712100"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jia-Yi","family":"Zhu","sequence":"additional","affiliation":[{"name":"Northwest A&F University , , , ,","place":["Yangling, Shaanxi, China, 712100"]},{"name":"Northwest A&F University , , , ,","place":["Yangling, Shaanxi, China, 712100"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ming-Hui","family":"Yin","sequence":"additional","affiliation":[{"name":"Northwest A&F University , , , ,","place":["Yangling, Shaanxi, China, 712100"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Li","family":"Luo","sequence":"additional","affiliation":[{"name":"Northwest A&F University , , , ,","place":["Yangling, Shaanxi, China, 712100"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0456-3893","authenticated-orcid":true,"given":"Dan","family":"Xu","sequence":"additional","affiliation":[{"name":"Northwest A&F University , , , ,","place":["Yangling, Shaanxi, China, 712100"]},{"name":"Northwest A&F University , , , ,","place":["Yangling, Shaanxi, China, 712100"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7859-9741","authenticated-orcid":true,"given":"Xili","family":"Liu","sequence":"additional","affiliation":[{"name":"Northwest A&F University , , , ,","place":["Yangling, Shaanxi, China, 712100"]},{"name":"Key Laboratory of Botanical Pesticide R&D in Shaanxi Province , , , ,","place":["Yangling, Shaanxi, China, 712100"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4305-4370","authenticated-orcid":true,"given":"Gong","family":"Xu","sequence":"additional","affiliation":[{"name":"Northwest A&F University , , , ,","place":["Yangling, Shaanxi, China, 712100"]},{"name":"Northwest A&F University , , , ,","place":["Yangling, Shaanxi, China, 712100"]},{"name":"Key Laboratory of Botanical Pesticide R&D in Shaanxi Province , , , ,","place":["Yangling, Shaanxi, China, 712100"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2026,8,27]]},"reference":[{"issue":"3","key":"2026090917075124400_cit1","doi-asserted-by":"publisher","first-page":"430","DOI":"10.1038\/s41559-018-0793-y","article-title":"The global burden of pathogens and pests on major food\ncrops","volume":"3","author":"Savary","year":"2019","journal-title":"Nat. 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