Lanosterol 14-alpha demethylase (CYP51), encoded by the Erg11 gene, is a crucial enzyme in pathogenic fungi. It catalyzes the demethylation of lanosterol to ergosterol, a vital component of fungal cell membranes. Inhibition of CYP51 disrupts ergosterol biosynthesis, compromises membrane integrity, and inhibits fungal growth, making it a key target for antifungal therapy. In this study, we employed a comprehensive computational...