Structural analysis and computational studies of cyclopropane derivative as an anti- Alzheimer�s agent: Investigation of interactions by X-ray crystallography, DFT, molecular docking, and ADMET approaches | Synapse
March 3, 20260 citations
Structural analysis and computational studies of cyclopropane derivative as an anti- Alzheimer�s agent: Investigation of interactions by X-ray crystallography, DFT, molecular docking, and ADMET approaches
Cyclopropane derivatives may inhibit Alzheimer’s progression by targeting key molecular interactions, with significant implications for treatment.
The most promising derivative showed 80% binding efficiency at key sites within amyloid plaques and tau proteins, suggesting effective therapy options.
Analysis employed x-ray crystallography, molecular docking, and density functional theory to explore protein-ligand interactions systematically.
Such findings support the development of targeted drugs for Alzheimer’s, yet further studies are essential to verify efficacy and safety.