The burden on human health has risen with the infections of Candida sp., and looking for therapy is becoming difficult. Because of its different medical applications, metallic iron oxide NPs attract interest. Therefore, five spherical iron oxide nanoclusters were tested in silico for binding of Candida sp. For the purpose of predicting the binding mechanism and energy, each iron oxide nanocluster was docked in the active position of the lanosterol 14 α-demethylase enzyme (CYP51), which is crucial for Candida sp. growth. The binding energy range for all test iron oxide nanoclusters was –8.17 to –9.75 Kcal/mol. In general, the molecular docking analysis revealed that increasing the size of the sphere nanoclusters (0.5-1 nm) increases the binding energy within 5TZ. Experimentally, the inhibition zone ranged from 16mm to 13mm. High inhibition zones were received from 50% of Candida albicans isolates, and the minimum inhibition concentrations were 256μg/ml for all Candida albicans isolates. The current findings suggest that iron oxide nanoclusters can be used as potential antifungal medications.

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