Anticholinesterase Activity of Eight Medicinal Plant Species: In Vitro and In Silico Studies in the Search for Therapeutic Agents against Alzheimer’s Disease

Figure 8

Noncovalent interactions (2D and 3D) of the top three ligands from Blumea lacera with BChE (PDB ID 4AQD). In the 3D figure, the ligand molecule and protein are shown in red and dark silver, respectively (pose predicted by AutoDock Vina). The redocked structure of the native ligand (donepezil) binds to the protein with an RMSD of 0.004 Å. This lower RMSD value validates the docking protocol.

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