Development of Dual Inhibitors against Alzheimer’s Disease Using Fragment-Based QSAR and Molecular Docking

Table 3

Docking parameters for the complexes chosen after Lipinski filter.

Complexes	Glide XP score; (kcal/mol)	Glide Evdw; (kcal/mol)	Glide Ecoul; (kcal/mol)	Glide Emodel; (kcal/mol)	Glide Energy; (kcal/mol)
EDC-BACE	−15.20	−32.97	−23.79	−96.58	−56.76
FDC-BACE	−14.39	−28.88	−30.66	−97.88	−59.55
EDC-AChE	−11.92	−46.03	−18.82	−106.16	−64.85
FDC-AChE	−11.85	−42.17	−16.71	−86.54	−58.88