Computational Studies of Beta Amyloid (Aβ42) with p75NTR Receptor: A Novel Therapeutic Target in Alzheimer’s Disease

Table 1

Hydrogen bond interactions from the best docked complex of Aβ42-p75NTR ectodomain based on ClusPro score.

p75NTR; residues	Atoms involved	A42 residues	Atoms involved	Distance (Å)
Thr 3	HG1	Ile 41	O	1.83
Ser 5	HG	Gly 37	O	1.84
Ser 12	H	Phe 20	O	1.95
Val 49	H	His 14	NE2	2.28
Gln 65	HE22	Asp 1	O	1.97
Cys 79	H	Glu 3	OE1	1.97
Gln 65	OE1	Asp 1	H	1.98
Asp 75	OD2	Tyr 10	HH	1.96
Asp 76	OD2	His 6	HD1	2.00
Glu 53	OE1	His 13	HD1	2.09
Glu 14	OE1	Lys 28	HZ1	1.78
Glu 14	OE2	Lys 28	HZ3	1.76