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oai:figshare.com:article/34027403 2026-09-29T19:09:34Z category_4 category_19 category_21 category_873 category_734 category_931 portal_63 item_type_6 month_year_09_2026

Discovery of a trans-Configured Monofluoroalkene as a Potent Succinate Dehydrogenase Inhibitor against Phakopsora pachyrhizi Letian Zhang (4710372) Yuchen Li (1501165) Wende Wu (13808656) Zhong Li (324520) Xiaoyong Xu (276757) Biochemistry Pharmacology Biotechnology Chemical Sciences not elsewhere classified Biological Sciences not elsewhere classified Information Systems not elsewhere classified succinate dehydrogenase inhibitors several compounds retained promising fungicidal profiles molecular docking indicated inhibited porcine sdh enzyme assays revealed appropriate substitution patterns compounds showed high 13 μm ), 9b </ b 6b </ b 17b </ b generate potent sdhis 50 </ sub vivo </ vitro </ trans </ cis </ showed 77 sdhis ). 87 μm rhizoctonia solani results demonstrate puccinia sorghi puccinia glumarum phakopsora pachyrhizi monofluoroalkene scaffold monofluoroalkene derivatives isomer superior exhibited 100 200 mg 01 mg 0029 mg A series of monofluoroalkene derivatives were designed and synthesized as succinate dehydrogenase inhibitors (SDHIs). Most compounds showed high <i>in vitro</i> activity against Rhizoctonia solani, with EC₅₀ values below 0.01 mg/L. Compound <b>V-17b</b> (4-OPh) was the most potent (EC₅₀ = 0.0029 mg/L), surpassing boscalid and fluxapyroxad by over 10-fold. Several compounds retained >50% inhibition <i>in vivo</i> at 200 mg/L against Rhizoctonia solani. Compound <b>V-6b</b> exhibited 100% efficacy against Phakopsora pachyrhizi at 1 mg/L, and <b>V-9b</b> showed 77.8% and 96.3% efficacy against Puccinia glumarum and Puccinia sorghi at 10 mg/L, respectively. Enzyme assays revealed that <b>V-9b</b> inhibited porcine SDH (IC₅₀ = 1.87 μM) more effectively than fluxapyroxad (IC₅₀ = 8.13 μM), with the <i>trans</i> isomer superior to the <i>cis</i>. Molecular docking indicated that the <i>trans</i> configuration enables additional π–π stacking with Trp_B173. These results demonstrate that the monofluoroalkene scaffold, combined with appropriate substitution patterns and configuration, can generate potent SDHIs with promising fungicidal profiles. 2026-09-29T00:00:00Z Text Journal contribution 10.1021/acs.jafc.6c02371.s001 https://figshare.com/articles/journal_contribution/Discovery_of_a_trans-Configured_Monofluoroalkene_as_a_Potent_Succinate_Dehydrogenase_Inhibitor_against_Phakopsora_pachyrhizi/34027403 CC BY-NC 4.0