Research Article

Molecular Modeling Studies of Piperidine Derivatives as New Acetylcholinesterase Inhibitors against Neurodegenerative Diseases

Table 2

Interaction energies between inhibitors and AChE.

Compd.pIC50ExppIC50Pred

15.14 5.36−5.91−3.71−0.330.00−192.45−202.40+3.50
26.52 6.11−2.50−15.23−0.33−0.10−186.55−204.700.00
36.08 5.80−1.13−11.84−0.29−0.66−178.06−191.97+13.93
45.89 5.78−1.29−3.50−0.34−0.17−188.91−194.20+11.70
55.41 5.65−3.110.00−0.34−0.37−205.26−204.08+4.82
65.62 5.51−5.00−0.97−0.02−0.14−186.92−193.0513.15
75.47 5.760.00−7.49−0.35−0.44−177.30−185.58+21.42
84.15 −2.50−5.37−0.32−0.14−187.10−195.42+10.56
Donepezil7.10 7.260.00−44.130.00−0.26−154.43−198.82+10.02