Engineered graphene quantum dot nanocomposite triggers α-synuclein defibrillation: Therapeutics against Parkinson's disease

Kaliyaperumal, Poonkuzhali; Seenivasagan, R.; Arumugam, Karthika; Aremu, Bukola Rhoda

doi:10.1016/j.nano.2022.102608

Cited by 10 publications

(6 citation statements)

References 36 publications

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“…Studies have shown that small molecules, − nanoparticles, − and peptides , can inhibit the fibrillization of αS. Liu et al found that brazilin can inhibit αS fibrillogenesis and reduce cytotoxicity induced by αS aggregates in a concentration-dependent manner .…”

Section: Introductionmentioning

confidence: 99%

Influence of Protonation on the Norepinephrine Inhibiting α-Synuclein 71–82 Oligomerization

Wang,

Zhu,

et al. 2023

J. Phys. Chem. B

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The pathogenesis of Parkinson’s disease (PD) is closely linked to the massive presence of Lewy vesicles and Lewy axons in the cytoplasm of neurons, mainly consisting of α-synuclein (αS). Norepinephrine (NE), whose secretion can be increased by exercise, has been demonstrated to prevent the fibrillation of αS and to break down the mature αS fibrils. In this work, we focus on the influence of protonation on the inhibitory ability of NE by using amyloid core fragment αS71–82 as a template. All-atom replica-exchange molecular dynamics simulations (accumulating to 33.6 μs) in explicit water were performed to explore the inhibitory effect of protonated and nonprotonated NE on αS oligomerization. Our results show that NE/NE+ can lead to a significant decrease in β-sheet content with increasing temperature, while isolated αS maintains relatively higher β-sheet conformations until 363 K, implying that both NE and NE+ can lower the critical temperature required for αS fibril decomposition. NE and NE+ also lead to the formation of less compact αS oligomers by preventing the backbone hydrogen bonds and the side-chain packing. The protonation would affect the binding affinity, interaction modes, and binding intensity of NE with αS. Interesting, NE and NE+ have a distinct binding free energy in the electrostatic and solvation terms, which mostly counter each other and produce a weak binding intensity with αS. Our work contributes to a better understanding of the inhibitory mechanism of NE and NE+ on αS oligomerization relevant to PD pathogenesis, which may provide clues for the design of antiamyloid medicine.

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Section: Introductionmentioning

confidence: 99%

Influence of Protonation on the Norepinephrine Inhibiting α-Synuclein 71–82 Oligomerization

Wang,

Zhu,

et al. 2023

J. Phys. Chem. B

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“…Besides, the tiny size of this compound provides the capability of crossing the BBB, so it could be a useful way for the treatment of PD. 155 Puerarin, a type of anti-Parkinson drug, was loaded on lactoferrin-functionalized GO nanosheets to cross the BBB and deliver it to the brain. The fabricated formulation showed high Biomaterials Science Review antioxidant activity and could effectively prevent PD-related neuron damage.…”

Section: Reviewmentioning

confidence: 99%

“…Besides, the tiny size of this compound provides the capability of crossing the BBB, so it could be a useful way for the treatment of PD. 155…”

Section: Graphene/derivatives In Neurosciencementioning

confidence: 99%

Graphene- and MXene-based materials for neuroscience: diagnostic and therapeutic applications

Zarepour,

Karasu,

Mir

et al. 2023

Biomater. Sci.

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“…58 Most recent evidence showed that the engineered surface of GQD with methyl N -allyl N -benzoylmethioninate (MABM) administered to PFFs-injected mice triggered α-syn defibrillation leading to an increase in TH + positive cells in the stratum and the SN and decline in the inflammatory response that was accompanied by the improvement of locomotor and rearing activity (Table 1). 59…”

Section: The Potential Of Gbns In the Battle Against Pdmentioning

confidence: 99%

Advances in graphene-based nanoplatforms and their application in Parkinson's disease

Oz,

Kaushik,

Kujawska

2023

Mater. Adv.

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Engineered graphene quantum dot nanocomposite triggers α-synuclein defibrillation: Therapeutics against Parkinson's disease

Cited by 10 publications

References 36 publications

Influence of Protonation on the Norepinephrine Inhibiting α-Synuclein 71–82 Oligomerization

Influence of Protonation on the Norepinephrine Inhibiting α-Synuclein 71–82 Oligomerization

Graphene- and MXene-based materials for neuroscience: diagnostic and therapeutic applications

Advances in graphene-based nanoplatforms and their application in Parkinson's disease

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