Fluconazole-Like Compounds as Potential Antifungal Agents: QSAR, Molecular Docking, and Molecular Dynamics Simulation

Figure 3

2D and 3D interaction of fluconazole-in cytochrome P₄₅₀ 14α-demethylase (CYP51) active site (green: hydrogen bond, red: van der Waals, orange: pi-cation, yellow: pi-pi, purple: pi-alkyl).