Potential Retinoid X Receptor Agonists for Treating Alzheimer’s Disease from Traditional Chinese Medicine

Table 1

H-bond occupancy for key residues of RXR protein with Targretin and two candidates overall 20 ns molecular dynamics simulation.

Name	H-bond Interaction	Occupancy
Targretin	Gln275:HE22/O25	1%
	Gln275:HE22/O26	1%
	Arg316:HH22/O25	17%
𝛽-lipoic acid	Ala241:HN/O10	10%
	Ala241:HN/O12	3%
	Gln275:HE22/O10	2%
	Gln275:HE22/O12	2%
	Ser312:HG1/O12	60%
	Arg316:HH22/O10	89%
	Arg316:HH22/O12	39%
	Arg316:HH12/O10	96%
	Arg316:HH12/O12	86%
Sulfanilic acid	Gln275:HE22/O9	1%
	Gln275:HE22/O10	1%
	Gln275:HE22/O11	2%
	Arg316:HH22/O9	53%
	Arg316:HH22/O10	45%
	Arg316:HH22/O11	49%
	Arg316:HH12/O9	25%
	Arg316:HH12/O10	23%
	Arg316:HH12/O11	16%
	Ala327:HN/O9	39%
	Ala327:HN/O10	24%
	Ala327:HN/O11	17%

H-bond occupancy cutoff: 0.3 nm.