[NMR paper] Principal component analysis of data from NMR titration experiment of uniformly 15N labeled amyloid beta (1-42) peptide with osmolytes and phenolic compounds.

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Principal component analysis of data from NMR titration experiment of uniformly 15N labeled amyloid beta (1-42) peptide with osmolytes and phenolic compounds.

Related Articles Principal component analysis of data from NMR titration experiment of uniformly 15N labeled amyloid beta (1-42) peptide with osmolytes and phenolic compounds.

Arch Biochem Biophys. 2020 09 15;690:108446

Authors: Iwaya N, Goda N, Matsuzaki M, Narita A, Shigemitsu Y, Tenno T, Abe Y, Hoshi M, Hiroaki H

Abstract
A simple NMR method to analyze the data obtained by NMR titration experiment of amyloid formation inhibitors against uniformly 15N-labeled amyloid-? 1-42 peptide (A?(1-42)) was described. By using solution nuclear magnetic resonance (NMR) measurement, the simplest method for monitoring the effects of A? fibrilization inhibitors is the NMR chemical shift perturbation (CSP) experiment using 15N-labeled A?(1-42). However, the flexible and dynamic nature of A?(1-42) monomer may hamper the interpretation of CSP data. Here we introduced principal component analysis (PCA) for visualizing and analyzing NMR data of A?(1-42) in the presence of amyloid inhibitors including high concentration osmolytes. We measured 1H-15N 2D spectra of A?(1-42) at various temperatures as well as of A?(1-42) with several inhibitors, and subjected all the data to PCA (PCA-HSQC). The PCA diagram succeeded in differentiating the various amyloid inhibitors, including epigallocatechin gallate (EGCg), rosmarinic acid (RA) and curcumin (CUR) from high concentration osmolytes. We hypothesized that the CSPs reflected the conformational equilibrium of intrinsically disordered A?(1-42) induced by weak inhibitor binding rather than the specific molecular interactions.


PMID: 32593678 [PubMed - indexed for MEDLINE]



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