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• W3020006372 abstract "BACKGROUND The rice bacterial leaf blight (BLB) is one of the most serious bacterial diseases caused by Xanthomonas oryzae pv. oryzae (Xoo), which can cause yield loss of rice up to 50%. The three-dimensional quantitative structure–activity relationship (3D-QSAR) is an important auxiliary method to find potential high-efficient pesticides active structures. RESULTS A series of novel 1,3,4-oxadiazole compounds were designed and synthesized based on the 3D-QSAR model, and their antibacterial activities in vitro against Xoo were evaluated. The results indicated that all the target compounds showed excellent in vitro antibacterial activities. For example, the compounds 6, 12, 13, 20, 21, and 23 exhibited excellent antibacterial activities against Xoo, with half-maximal effective concentration (EC50) values of 0.24, 0.31, 0.36, 0.29, 0.19, and 0.31 mg/L, respectively, which were superior to the antibacterial agents thiodiazole copper (127.44 mg/L) and bismerthiazol (91.08 mg/L). Meanwhile, compound 21 showed good antibacterial activity in vivo against BLB, with curative and protective activities of 46.7% and 56.4%, respectively, which were superior to thiodiazole copper (28.5% and 32.5%) and bismerthiazol (37.6% and 38.4%). Compound 21 can significantly reduce the extracellular polysaccharides production of Xoo, increase the permeability of the cell membranes, and also can cause cell surface wrinkles, deformation and dryness. CONCLUSION The 3D-QSAR model can be used to find sulfone compounds containing a 1,3,4-oxadiazole moiety with higher antibacterial activity, and compound 21 can be used as a potential antibacterial agent in the future. © 2020 Society of Chemical Industry" @default.
• W3020006372 created "2020-05-01" @default.
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• W3020006372 date "2020-05-15" @default.
• W3020006372 modified "2023-10-14" @default.
• W3020006372 title "Novel sulfone derivatives containing a 1,3,4‐oxadiazole moiety: design and synthesis based on the <scp>3D‐QSAR</scp> model as potential antibacterial agent" @default.
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• W3020006372 doi "https://doi.org/10.1002/ps.5873" @default.
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