IN-SILICO AND IN-VITRO EVALUATION OF FUNGICIDAL ACTIVITY OF AMINOMETHYLATED DERIVATIVES OF 1,2,4-TRIAZOLE, 2-NAPHTHOL AND INDOLE

The interaction of the reagent N,N,Nʹ,Nʹ-tetramethyldiaminomethane with 1,2,4-triazole and 2-naphthol yielded compounds containing a monoaminomethylated fragment. Subsequent interaction of the aminomethylation products with methyl iodide led to the formation of quaternized salts. Using the molecular docking method, reasonable assumptions were made about the complementarity of the obtained series of compounds with the active center of lanosterol-14α-demethylase CYP51 from Saccharomyces cerevisiae. Primary screening of monoaminomethylated derivatives for fungicidal activity against the phytopathogenic fungi Bipolaris sorokiniana, Fusarium oxysporum and Rhizoctonia solani showed that compounds containing a substituent in the form of a quaternized form of nitrogen have greater fungicidal activity.