In Silico Insight into Potent of Anthocyanin Regulation of FKBP52 to Prevent Alzheimer’s Disease

Table 5

Comparing amino distance variation from Lys121 to Glu85 while the protein is in an unbound condition and targets the ligand during docking and MD.

	Docking	0 ns	Stable	20 ns
	121/85	121/85	121/85	121/85
Unbound	20.783	20.783	19.916	20.215
		(0)	(−0.867)	(−0.568)
506	19.162	18.861	17.974	17.990
		(−0.301)	(−1.188)	(−1.172)
D3G	19.162	18.327	15.578	15.450
		(−0.835)	(−3.584)	(−3.712)
Pt3G	19.162	19.597	19.111	19.033
		(0.435)	(−0.051)	(−0.129)
C3G	19.162	16.356	16.033	16.199
		(−2.806)	(−3.129)	(−2.963)
M3G	19.162	17.792	16.487	16.567
		(−1.37)	(−2.675)	(−2.595)
P3G	19.162	17.714	17.519	17.587
		(−1.448)	(−1.643)	(−1.575)
Pa3G	19.162	18.642	18.078	18.102
		(−0.52)	(−1.084)	(−1.060)
Anthocyanin average	19.162	18.071	17.134	17.156
		(−1.091)	(−2.028)	(−2.006)