| Ki |
- |
| EC50 |
|
| IC50 |
4.568±0.109 μM(Aβ42) |
| Inhibition |
71.23% disaggregation , 78.02% Aβ42 inhibition |
| Toxicity |
Halts the generation of reactive oxygen species |
| ROS(reactive oxygen species) |
|
| Metal Chelating |
Cu2+ |
| BBB(blood-brain barrier) |
|
| Target Protein |
Aβ42 fibrils |
| Effects |
(1)Compound 4v was identified as the most potent inhibitor of Aβ42 aggregation and disaggregates preformed Aβ42 fibrils significantly, (2)4v strongly averts the Cu2+-induced Aβ42 aggregation and disaggregates the preformed Cu2+-induced Aβ42 fibrils, halts the generation of reactive oxygen species, and shows neuroprotective effects in SH-SY5Y cells, (3)The MD simulations highlighted that 4v binds preferentially at the central hydrophobic core region of the Aβ42 monomer and chains D and E of the Aβ42 protofibril, (4)The dictionary of secondary structure of proteins analysis indicated that 4v retards the conformational conversion of the helix-rich structure of the Aβ42 monomer into the aggregation-prone β-sheet conformation, the helical content increases(27–33%) and β-sheet content decreases considerably(9–3%) for the Aβ42 monomer in the presence of 4v, |
| Research Models |
SH-SY5Y cells, molecular dynamics(MD) simulations, |
| Ref. Link |
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