Sun, Sheng-Xin published the artcileDesign, synthesis, antifungal evaluation, and molecular docking of novel 1,2,4-triazole derivatives containing oxime ether and cyclopropyl moieties as potential sterol demethylase inhibitors, Recommanded Product: 3-Chlorobenzylchloride, the publication is New Journal of Chemistry (2021), 45(40), 18898-18907, database is CAplus.
In the search for novel sterol demethylase inhibitors (DMIs), a series of 1,2,4-triazole derivatives containing oxime ether and cyclopropyl moieties I (R = Ph, 2,4,6-trichlorophenyl, 2-(1,3-dimethoxy-3-oxoprop-1-en-2-yl)benzen-1-yl, etc.) were designed using the bioactive substructure combination assisted by virtual mol. docking. The antifungal evaluation against Rhizoctonia solani (Rs), Fusarium graminearum (Fg), and Botrytis cinerea (Bc) indicated that most of the target compounds exhibited remarkable inhibitory activities against the above-mentioned tested fungi. Significantly, the compound I (R = 2,6-dichlorophenyl) exhibited outstanding anti-Fg activity with an EC50 value of 1.22μg mL-1 in vitro, and a protective effect of 59.45% in vivo at 200μg mL-1. Further investigation revealed that compound I (R = 2,6-dichlorophenyl) evidently inhibited Fg spore germination and caused some wrinkles and dents on the surface of mycelia. Mol. docking showed that compound I (R = 2,6-dichlorophenyl) bound with the target protein FgCYP51 via coordination, hydrogen bonding and stacking interactions that were similar, but slightly different from the interactions of tebuconazole with FgCYP51. These research results suggested that the target compounds I are valuable for the further structural optimization of novel triazole fungicides.
New Journal of Chemistry published new progress about 620-20-2. 620-20-2 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Benzyl chloride,Benzene, name is 3-Chlorobenzylchloride, and the molecular formula is C7H8BNO4, Recommanded Product: 3-Chlorobenzylchloride.
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