Deepa Sharma
Pharmaceutical Chemistry
May 2025
This study investigated the design process along with molecular modeling followed by synthesis and biological testing of new imidazole derivatives to achieve superior antifungal effects. The scientists used lanosterol 14α-demethylase enzyme structure to build new compounds which enhanced both enzyme binding capacity and antifungal effectiveness. AutoDock Vina generated molecular docking simulations to identify compounds which showed beneficial binding interactions with the enzyme. The research tested synthesized derivatives against Candida albicans Aspergillus Niger and Cryptococcus neoformans through the disk diffusion method and Minimum Inhibitory Concentration (MIC) determination. Among the synthesized compounds Compound 2 displayed the most potent antifungal properties through its minimal inhibitory concentration values. Computational predictions showed Compound 2 presented desirable drug-like properties together with low toxicity so it emerged as a promising antifungal candidate. A comprehensive method combining molecular docking with synthesis and biological testing and computational analysis demonstrates that imidazole derivatives present potential therapeutic possibilities against fungal infections
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© Airo Journals 2021
