38539-87-6Relevant articles and documents
Discovery of Novel Triazolothiadiazines as Fungicidal Leads Targeting Pyruvate Kinase
Chen, Hongyu,Chen, Lai,Chen, Lei,Fan, Zhijin,Gao, Wei,Liu, Xiaoyu,Qi, Xin,Tang, Liangfu,Ye, Rong,Zhang, Yue
, p. 1047 - 1057 (2022/02/14)
Pyruvate kinase (PK) was discovered as a potent new target for novel fungicide development. A series of novel triazolothiadiazine derivatives were rationally designed and synthesized by a ring expansion strategy and computer-aided pesticide design using the 3D structure of Rhizoctonia solani PK (RsPK) obtained by homology modeling as a receptor and our previously discovered lead YZK-C22 as a ligand. The in vitro bioassay results indicated that compounds 4g, 6h, 6m, 6n, 6o, and 6p exhibited good activity against R. solani with the EC50 values falling between 10.99 and 72.76 μM. Especially, 6m showed similar potency to YZK-C22 (10.99 vs 11.97 μM of the EC50 value, respectively). The in vivo bioassay results suggested that 6m against R. solani at a concentration of 200 μg/mL displayed a numerically higher inhibition than YZK-C22 (70 vs 60%, respectively). A field experiment validated that 6m at an application rate of 120 g ai/ha showed comparable efficacy against R. solani to thifluzamide at an application rate of 80 g ai/ha (77.80 vs 84.5%, respectively). Enzymatic inhibition suggested that the potency of 6m was about twofold lower than that of YZK-C22 (67.30 vs 32.64 μM of IC50, respectively). Fluorescence quenching studies validated that RsPK was quenched by both 6m and YZK-C22, implying that they both might act at the same target site of PK. A possible binding conformation of 6m in the RsPK active site was depicted by molecular docking. Our studies suggest that 6m could be a fungicidal lead targeting PK.
Anionic ligands tune the structural and catalytic properties of quinoxaline-based copper(II) complexes as mimetics of copper-containing oxidase protein
Fathy, Ahmed M.,Hessien, Mahmoud M.,Ibrahim, Mohamed M.,Ramadan, Abd El-Motaleb M.
, (2021/11/17)
The hexadentate ligand containing quinoxaline backbone along with its Cu(II) -based complexes with various anionic ligands were synthesized and their structures were determined. Molecular formulae were assigned based on the data of both elemental analysis
SYNTHESIS AND BIOLOGICAL ACTIVITIES OF SOME NOVEL STROBILURIN DERIVATIVES CONTAINING 1, 2, 4-TRIAZOLE MOIETY
Liu, Xin,Pang, Yan-Ping,Wang, Wei,Wang, Xian-You,Wu, Guang-Chen,Zhao, Xin,Zheng, Jia-Yan,Zhou, Zhao-Xi
, p. 347 - 353 (2022/02/23)
In this study, a series of strobilurin derivatives containing 1, 2, 4-triazole Schiff base side chain were designed and synthesized. Their structures were confirmed by IR,1H NMR,13C NMR, and HRMS. The antifungal tests indicated that compounds 6d′ displayed modest antifungal activity against Rhizoctonia solani, Botrytis cinereapers, and Fusarium graminearum. In addition, compounds 6g′, 6f′, 6e, and 6e′ exhibited better fungicidal activities against Blumeria graminis at a concentration of 50 μg/mL, with the inhibitory rates of 83.20%, 85.85%, 92.09%, and 100%, respectively.
