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

Figure 4

2D and 3D interactions of ligand 32 in cytochrome P₄₅₀ 14α-demethylase (CYP51) active site (green: hydrogen bond, blue: halogen bond, red: carbon-hydrogen, purple: pi-pi).