Порівняння фунгіцидної активності препарату флуконазол та синтезованихфлюоровмісних 1,2,4 – триазолів IN VITRO та IN SILICO методами

Abstract

Diseases caused by fungal infections affect millions of people and plants every year. Candida albicans is one of the most common fungi, causing a variety of fungal diseases that are life threatening, especially for cancer patients and HIV-positive people. At the same time, drug therapy aimed at treating these diseases is limited by the small number of drugs used. Among them, one of the most commonly used both in human treatment and as part of the active components of agricultural fungicides is fluconazole - a drug that combines the nucleus of 1,2,4-triazole and fluorine atoms. Previously, we have investigated the antifungal activity of condensed salts of thiazolo[3,2- b][1,2,4]triazole obtained by electrophilic intramolecular cyclization, bis-triazoles and their alkylated derivatives, and proved the feasibility of their use as bactericides and fungicides. The aim of this work is to investigate the interaction of fluconazole and synthesized fluorinecontaining compounds of class 1,2,4-triazole with the enzyme "EC 2.2.1.6 Acetolactate synthase" in the crystal structure of Candida albicans and to evaluate the possible use of the obtained substances as fungicides. In the current study, we investigated the antifungal action of fluorine-containing derivatives of 1,2,4-triazole-3-thione. Molecular docking was performed for the compounds with the highest fungicidal activity and the preparation of fluconazole for the enzyme "EC 2.2.1.6 Acetolactate synthase" Candida albicans. The results showed that one of the tested substances showed a higher affinity for binding in the active site of the enzyme than fluconazole. Therefore, the test substances are promising antifungal agents. Keywords: 1,2,4-triazole-3-thione; fungicidal activity; molecular docking; Candida albicans.