Effects of Curcumin and Ferulic Acid on the Folding of Amyloid-β Peptide.

Autor:	Salamanova, Evdokiya, Atanasova, Mariyana, Dimitrov, Ivan, Doytchinova, Irini, Pajeva, Ilza, Mori, Mattia
Předmět:	FERULIC acid CURCUMIN PLANT polyphenols HYDROGEN bonding MOLECULAR dynamics
Zdroj:	Molecules; May2021, Vol. 26 Issue 9, p2815-2815, 1p
Abstrakt:	The polyphenols curcumin (CU) and ferulic acid (FA) are able to inhibit the aggregation of amyloid-β (Aβ) peptide with different strengths. CU is a strong inhibitor while FA is a weaker one. In the present study, we examine the effects of CU and FA on the folding process of an Aβ monomer by 1 µs molecular dynamics (MD) simulations. We found that both inhibitors increase the helical propensity and decrease the non-helical propensity of Aβ peptide. They prevent the formation of a dense bulk core and shorten the average lifetime of intramolecular hydrogen bonds in Aβ. CU makes more and longer-lived hydrogen bonds, hydrophobic, π–π, and cation–π interactions with Aβ peptide than FA does, which is in a good agreement with the observed stronger inhibitory activity of CU on Aβ aggregation. [ABSTRACT FROM AUTHOR]
Databáze:	Complementary Index
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