A computational study of metal ions interaction with amyloid-β 1–42 peptide structure in hyperpyrexia: Implications for Alzheimer disease

Mocanu, Cosmin Stefan; Darie-Ion, Laura; Petre, Brînduşa Alina; Gradinaru, Robert �Vasile; Drochioiu, Gabi

doi:10.1016/j.jksus.2022.102184

Cited by 3 publications

(2 citation statements)

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“…Gel-forming peptides are also implicated in the etiology of diseases such as Alzheimer's disease. 40,41 Previously, replacement of histidine residues in amyloid- peptides with alanine and other amino acids showed an increase in the gelling character of the newly synthesized peptides. [42][43][44][45]…”

Section: Discussionmentioning

confidence: 99%

Mass spectrometric characterization of some gel-forming peptides

JITARU,

DROCHIOIU

2023

Rev.Roum.Chim.

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Peptide-based hydrogels have become an area of intense investigation due to their easy design, possibility to make a large range of hierarchical nanostructures and their high biocompatibility and biodegradability. Here, we investigated by mass spectrometry (MS) a few synthetic gel-forming peptides having different amino acid sequences. Four different peptides were selected for MS measurements: EEE-OH, FFFFF-OH, FESNF-NH2, and LWMRFA-OH. Our data show that mass spectrometry can be used to get detailed information on structure, molecular weight, and chemical bond energies of gel-forming peptides as well as to assess their purity and stability. Fourier transform infrared spectroscopy (FTIR) and theoretical studies carried out using GPMAW and ChemDraw Ultra computer programs confirmed the MS data. The peptide tendency to aggregate, a process observed by MS in the case of peptide EEE in a polar environment, was also theoretically investigated by molecular modeling.

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Section: Discussionmentioning

confidence: 99%

Mass spectrometric characterization of some gel-forming peptides

JITARU,

DROCHIOIU

2023

Rev.Roum.Chim.

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“…It must be emphasized, nevertheless, that the connections between the pathways and proteins involved in these mechanisms are extremely complicated and can change based on cell type, concentration levels of metal ions, time, and other factors (Mocanu et al, 2022). No studies have been conducted on the mechanism of synergistic changes interaction of Al and Zn in neurodegenerative diseases.…”

Section: Introductionmentioning

confidence: 99%

Study on the mechanism of zinc finger proteins ROCK1 and DMD in zinc-mediated cognitive impairment caused by aluminum exposure

Shang,

Li,

Zhang

et al. 2024

Preprint

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Background: Aluminum (Al) exposure was implicated in neurodegenerative diseases and cognitive impairment, yet the involvement of zinc (Zn) and its mechanism in Al-induced mild cognitive impairment (MCI) remains poorly understood. Objective: Exploring the role of Zn in Al-induced cognitive impairment and its potential mechanisms. Methods: Montreal Cognitive Assessment (MoCA) test scores, and serum Al, Zn from Al industry workers were collected. A mediation analysis was performed to evaluate the role of serum Zn among serum Al and MoCA test scores. Subsequently, an Al-exposure study was conducted on a rat model categorized into control, low, medium, and high dose groups. After a Morris Water Maze test and detection of Al, Zn content in the hippocampus, integrated transcriptomic and proteomic analyses between the control group and the high-dose group were performed to identify the differentially expressed genes (DEPs), proteins (DEPs), and pathways. To corroborate these findings, quantitative real-time polymerase chain reaction (qRT-PCR) and western blotting (WB) were selected to identify the genes and proteins results. Results: Zn overall mediates the relationship between serum Al and cognitive function (mediation effect 17.82%, Effect value = -0.0351). In the Al-exposed rat model, 734 DEGs, 18 miRNAs, 35 lncRNAs, 64 circRNAs, and 113 DEPs were identified between the high-dose group and the control group. Among them, ROCK1, DMD, and other 4 DEPs were identified as related to Zinc finger proteins (ZNF). Co-enrichment analyses of the Kyoto Encyclopedia of Genes and Genomes (KEGG) and Gene Ontology (GO) linked these changes to the RHOA/ROCK1 signaling axis. ZNF-related proteins Rock1, DMD, and DHX57 in the high-dose group were downregulated (p = 0.006, 0.003, 0.04), and the expression of Myl9, Rhoa, miR431, and miR182 was also downregulated (p = 0.003, 0.032, 0.032 and 0.046). These findings also show correlations between Al, Zn levels in the hippocampus, water maze performance and expressions of Myl9, Rhoa, miR431, miR182, DMD, ROCK1, and DHX57, with both negative and positive associations. Conclusion: Based on the results, we determined that Zn was involved in Al-induced MCI in Al workers and Al-exposed rat models. Al exposure and interaction with Zn could trigger the downregulation of ZNF of ROCK1, DMD, and DHX57. miR431, miR182 regulate RHOA/ROCK1 was one of the Zn-involved pathways in Al-induced cognitive impairment.

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