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27 September 2020: Database Analysis

A Network Pharmacological Approach to Investigate the Mechanism of Action of Active Ingredients of and Their Potential Targets in Treatment of Alzheimer’s Disease

Yajuan Li ABCDEF , Qin Yang BF , Yang Yu AG*

DOI: 10.12659/MSM.926295

Med Sci Monit 2020; 26:e926295

Table 3 Docking of molecules with major target proteins.

TargetPDB IDLigandThree dimensional coordinates of the active siteMoleculeAffinity (kcal/mol)
PTGS25KIRNAGx=23.59; y=2.418; z=34.258Quercetin−9.6
MAPK14QP436Ox=32.637; y=46.133; z=42.3Quercetin−8
TNF6OOYA7Mx=−11.496; y=1.548; z=−18.373Luteolin−10.6

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Medical Science Monitor eISSN: 1643-3750
Medical Science Monitor eISSN: 1643-3750