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RSS FeedsIJMS, Vol. 20, Pages 4641: The Anti-Amyloidogenic Action of Doxycycline: A Molecular Dynamics Study on the Interaction with A?42 (International Journal of Molecular Sciences)

 
 

19 september 2019 11:00:11

 
IJMS, Vol. 20, Pages 4641: The Anti-Amyloidogenic Action of Doxycycline: A Molecular Dynamics Study on the Interaction with A?42 (International Journal of Molecular Sciences)
 


The pathological aggregation of amyloidogenic proteins is a hallmark of many neurological diseases, including Alzheimer’s disease and prion diseases. We have shown both in vitro and in vivo that doxycycline can inhibit the aggregation of Aβ42 amyloid fibrils and disassemble mature amyloid fibrils. However, the molecular mechanisms of the drug’s anti-amyloidogenic property are not understood. In this study, a series of molecular dynamics simulations were performed to explain the molecular mechanism of the destabilization of Aβ42 fibrils by doxycycline and to compare the action of doxycycline with those of iododoxorubicin (a toxic structural homolog of tetracyclines), curcumin (known to have anti-amyloidogenic activity) and gentamicin (an antibiotic with no experimental evidence of anti-amyloidogenic properties). We found that doxycycline tightly binds the exposed hydrophobic amino acids of the Aβ42 amyloid fibrils, partly leading to destabilization of the fibrillar structure. Clarifying the molecular determinants of doxycycline binding to Aβ42 may help devise further strategies for structure-based drug design for Alzheimer’s disease.


 
212 viewsCategory: Biochemistry, Biophysics, Molecular Biology
 
IJMS, Vol. 20, Pages 4643: Discovery of a Ruthenium Complex for the Theranosis of Glioma through Targeting the Mitochondrial DNA with Bioinformatic Methods (International Journal of Molecular Sciences)
IJMS, Vol. 20, Pages 4640: The Link of the Prion Protein with Ca2+ Metabolism and ROS Production, and the Possible Implication in A? Toxicity (International Journal of Molecular Sciences)
 
 
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