| 1 | Synthesis,Bioactivity Evaluation,3D-QSAR,and Molecular Docking of Novel Pyrazole-4-carbohydrazides as Potential Fungicides Targeting Succinate Dehydrogenase显示文摘To screen novel antifungal agents targeting the succinate dehydrogenase(SDH),a series of pyrazole-4-carbohydrazides were rationally designed,synthesized,and characterized under the guidance of the structures of succinate dehydrogenase inhibitors(SDHIs).Bioassay results in vitro indicated that most of the target compounds exhibited excellent activity against Rhizoctonia solani(R.solani),Fusarium graminearum(F.graminearum),Botrytis cinerea(B.cinerea)and Colletotrichum capsica(C.cinerea).Compounds 7d,7l,7t and 7x were identified as the most promoting candidates,and their anti-F.graminearum EC50 values were as low as 0.56,0.47,0.46 and 0.49μg/mL,respectively,presenting the similar antifungal activity as that of the commonly used fungicide carbendazim(0.43μg/mL).The 3D-QSAR models were built for a systematic structure-activity relationship profile to explore more potent pyrazole-4-carbohydrazides as novel fungicides.Molecular docking of 7d,7l and 7r with SDH was performed to reveal the binding modes in active pocket and analyze the interactions between the molecules and the SDH protein. | Jian Jiao Min Chen Shengxin Sun Weijie Si Xiaobin Wang Weijie Ding Xincan Fu An Wang Chunlong Yang | 2021 | Chinese Journal of Chemistry2021，39，2： | 1 |
| 2 | Novel 1,3,5-thiadiazine-2-thione derivatives containing a hydrazide moiety:Design, synthesis and bioactive evaluation against phytopathogenic fungi in vitro and in vivo显示文摘A series of novel 1,3,5-thiadiazine-2-thione derivatives bearing a hydrazide moiety were designed, synthesized and evaluated for their antifungal activities against Rhizoctonia solani (Rs), Fusarium graminearum (Fg), Botrytis cinerea (Bc) and Colletotrichum capsici (Cc). The in vitro antifungal bioassays indicated that most of title compounds displayed good selectivity and specificity aganist Rs relative to Fg, Bc and Cc. Strikingly, the title compound N'-(4-chlorophenyl)-2-(5-phenyl-6-thioxo-1,3,5-thiadiazinan-3-yl)acethydrazide (5b) obviously inhibited the Rs growth in vitro with the EC50 value of 0.24μg/mL, which is approximately 2-folds more effective than the commercialized fungicide carbendazim (0.55 μg/mL). The in vivo anti-Rs effects of title compound 5b were further evaluated on rice leaves with control efficacies of 98.58% at 200 μg/mL and 61.27% at 100 μg/mL. The above researches provide a significant reference for the further structural optimization of 1,3,5-thiadiazine-2-thione derivatives bearing a hydrazide moiety as potential fungicides. | Xiaobin Wang Xincan Fu Min Chen An Wang Jinghua Yan Yudong Mei Mengqi Wang Chunlong Yang | 2019 | Chinese Chemical Letters2019，30，7： | 0 |
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