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Design, Synthesize and Bio Evaluate 1,2 Dihydroisoquinolin 3(4H) One Derivates as Acetylcholinesterase and β Secretase Dual Inhibitors in Treatment with Alzheimer’s Disease

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Figure 2. The design of 3 series of new derivates was based on the molecular skeleton, 6-amino-1,2-dihydroisoquinolin-3(4H)-one, which was generated from the 3D structures of compound (+)-(S)-dihydro- ar-tumerone and (−)-gallocatechin gallate by making use
Table 1. AChE and BACE 1 inhibition activity for all synthesized compounds.
Figure 3. Compound 3d docked with the pocket of AChE (a) the 3D model of this complex and (b) the force interactions between compound 3d and the residues of AChE in a 2D model
Figure 4. A representation of molecular docking derived binding pose (3D) of compound 3d in the active site of BACE-1 (a) and docking simulated binding mode (2D) of compound 3d bound in the active site of BACE-1 (b)

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