Novel Natural Structure Corrector of ApoE4 for Checking Alzheimer’s Disease: Benefits from High Throughput Screening and Molecular Dynamics Simulations

Table 2

Binding affinity scores and energies of ApoE4 in complex with IAH and PHC.

Compound	ZINC ID	Docking score	XP Gscore	Glide ligand efficiency	Glide evdw	Glide emodel	Glide energy
IAH	ZINC19735138	−6.79	−6.79	0.75	−3.28	−23.90	−28.96
PHC	ZINC00049154	−6.76	−6.76	−0.56	−6.18	−32.97	−26.97