Formylated Bile Acid–Steroid Conjugates: Synthesis, Antifungal Properties, and <i>In Silico</i> Studies

Fungal infections caused by <i>Alternaria alternata</i>, <i>Fusarium culmorum</i> (F. culmorum), and <i>Botrytis cinerea</i> (B. cinerea) pose significant risks to agriculture and human health. The emergence of fungicide resistance underscores the need for new antifungal agents. Bile acid-steroid conjugates, synthesized via "click chemistry", offer a promising solution due to their stability and biological activity. In this study, bile acid derivatives linked by 1,2,3-triazole rings were synthesized and evaluated for antifungal activity. Spectroscopic analysis confirmed successful conjugation, and molecular docking studies identified interactions with fungal targets. Biological assays revealed potent antifungal effects, especially against <i>F. culmorum</i> and <i>B. cinerea</i>, with compounds (<b>23</b>) and (<b>24</b>) showing the strongest activity. These findings highlight the potential of bile acid derivatives as novel antifungal agents, and further optimization could enhance their efficacy and selectivity for therapeutic applications.