In Silico Investigation of Novel Compounds as Inhibitors of Acetylcholinesterase Enzyme for the Treatment of Alzheimer’s Diseases

Figure 9

(a–h) 2D diagram of contact points during the molecular dynamics simulations as obtained from the ligand interaction analysis of the snapshot taken at 10 ns and 35 ns timestep using the MOE software to study the ligand interactions of the snapshot.

(a) CHEMBL-1240685 molecular dynamics simulation interactions at 10 ns

(b) CHEMBL-1240685 molecular dynamics simulation interactions at 35 ns

(c) Galantamine molecular dynamics simulation interactions at 10 ns

(d) Galantamine molecular dynamics simulation interactions at 35 ns

(e) Donepezil molecular dynamics simulation interactions at 10 ns

(f) Donepezil molecular dynamics simulation interactions at 35 ns

(g) Zoladex molecular dynamics simulation interactions at 10 ns

(h) Zoladex molecular dynamics simulation interactions at 35 ns