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

Table 4

The secondary structure during molecular dynamic simulation.

	Structure	Coil	B-sheet	B-bridge	Bend	Turn	A-helix	5-helix	3-helix
Fluconazole	0.69	0.17	0.10	0.01	0.10	0.15	0.42	0.00	0.03
Complex-32	0.70	0.17	0.11	0.01	0.10	0.16	0.42	0.00	0.04
Complex-F13	0.68	0.18	0.11	0.01	0.10	0.15	0.41	0.00	0.04