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Eur J Med Chem. 2011 Sep;46(9):4374-82. doi: 10.1016/j.ejmech.2011.07.008. Epub 2011 Jul 19.

Synthesis, antifungal activity and QSAR study of 2-arylhydroxynitroindoles.

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Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, 47 Leninsky prosp, 119991 Moscow, Russian Federation.


A series of 2-arylhydroxynitroindoles were prepared and tested for antifungal activity in vitro. The preliminary bioassays indicated that some compounds are comparable to the commercial fungicide (triadimefon). To further explore the structure-activity relationships, the data set of the seventeen structures and their quantitative values of antifungal activities were used for QSAR modeling. Based on the obtained QSAR models four new chemical compounds were designed, synthesized and tested in fungicidal assays. Reasonable correspondence between the experimental and predicted values of antifungal activity was observed.

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