Delineating the impact of N21D mutation on the conformational preferences and structural transitions in human islet amyloid polypeptide

Journal of Molecular Liquids, Journal Year: 2024, Volume and Issue: 401, P. 124528 - 124528

Published: March 20, 2024

Language: Английский

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Inhibitory mechanism of lithospermic acid on fibrillation of type 2 diabetes associated islet amyloid polypeptide

Journal of Molecular Graphics and Modelling, Journal Year: 2025, Volume and Issue: 136, P. 108972 - 108972

Published: Jan. 30, 2025

Language: Английский

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Boron Nanocomposites for Boron Neutron Capture Therapy and in Biomedicine: Evolvement and Challenges

Biomaterials Research, Journal Year: 2025, Volume and Issue: 29

Published: Jan. 1, 2025

Cancer remains a major concern for human health worldwide. To fight the curse of cancer, boron neutron capture therapy is an incredibly advantageous modality in treatment cancer as compared to other radiotherapies. Due tortuous vasculature and around tumor regions, ( 10 B) compounds preferentially house into cells, creating large dose gradient between highly mingled cells normal cells. Epithermal or thermal bombardment leads tumor-cell-selective killing due generation heavy particles yielded from situ fission reaction. However, challenges nanocomposites’ development have been synthesis part well requirement selective targeting delivery therapeutic concentrations with nominal healthy tissue accumulation retention. circumvent above challenges, this review discusses boride nanocomposite design, safety, biocompatibility biomedical applications general public use. This sparks interest using nanocomposites agents repurposing them comorbidity treatments, future scientific opportunities, hope accelerate stimulus developing possible composite nanomedicine research

Language: Английский

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Alzheimer’s, Parkinson’s, Frontotemporal Lobar Degeneration, and Amyotrophic Lateral Sclerosis Start in Pediatric Ages: Ultrafine Particulate Matter and Industrial Nanoparticles Are Key in the Early-Onset Neurodegeneration: Time to Invest in Preventive Medicine

Toxics, Journal Year: 2025, Volume and Issue: 13(3), P. 178 - 178

Published: Feb. 28, 2025

Billions of people are exposed to fine particulate matter (PM2.5) levels above the USEPA’s annual standard 9 μg/m3. Common emission sources anthropogenic, producing complex aerosolized toxins. Ultrafine (UFPM) and industrial nanoparticles (NPs) have major detrimental effects on brain, but USA does not measure UFPM a routine basis. This review focuses development progression common neurodegenerative diseases, as diagnosed through neuropathology, among young residents in Metropolitan Mexico City (MMC). MMC is one most polluted megacities world, with population 22 million residents, many whom unaware brain caused by their atmosphere. Fatal diseases (such Alzheimer’s Parkinson’s) that begin childhood populations living air environments preventable. We conclude UFPM/NPs capable disrupting neural homeostasis give rise relentless processes throughout entire life highly MMC. The paradigm reaching old age neurodegeneration no longer supported. Neurodegenerative changes start early pediatric ages irreversible. It time invest preventive medicine.

Language: Английский

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Comprehending the Efficacy of Whitlock's Caffeine-Pincered Molecular Tweezer on β-Amyloid Aggregation

ACS Chemical Neuroscience, Journal Year: 2024, Volume and Issue: 15(17), P. 3202 - 3219

Published: Aug. 10, 2024

Alzheimer's disease (AD) stands as one of the most prevalent neurodegenerative conditions, leading to cognitive impairment, with no cure and preventive measures. Misfolding aberrant aggregation amyloid-β (Aβ) peptides are believed be underlying cause AD. These amyloid aggregates culminate in development toxic Aβ oligomers subsequent accumulation β-amyloid plaques amidst neuronal cells brain, marking hallmarks Drug for potentially curative treatment is, therefore, a tremendous challenge scientific community. In this study, we investigate potency Whitlock's caffeine-armed molecular tweezer combating deleterious effects aggregation, special emphasis on seven residue Aβ16–22 fragment. Extensive all-atom dynamics simulations conducted probe various structural conformational transitions an aqueous medium both presence absence tweezers. To explore specifics peptide–tweezer interactions, radial distribution functions, contact number calculations, binding free energies, 2-D kernel density plots depicting variation distance-angle between aromatic planes pair computed. The central hydrophobic core, particularly Phe residues, is crucial harmful oligomers. Notably, all analyses indicate reduced interpeptide interactions tweezer, which attributed tweezer-Phe interaction. Upon increasing concentration, residues peptide further encased environment created by self-aggregating cluster, segregation residues. This aided weakening interstrand hydrogen bonding peptides, thereby impeding their self-aggregation preventing formation neurotoxic β-amyloid. Furthermore, study also highlights efficacy destabilizing preformed fibrils well hindering full-length Aβ1–42 peptide.

Language: Английский

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Exploring Cyclic Peptide Nanotube Stability Across Diverse Lipid Bilayers and Unveiling Water Transport Dynamics

Langmuir, Journal Year: 2023, Volume and Issue: 40(1), P. 882 - 895

Published: Dec. 22, 2023

Cyclic Peptide Nanotubes (CPNTs) have emerged as compelling candidates for various applications, particularly nanochannels within lipid bilayers. In this study, the stability of two CPNTs, namely 8 × [(Cys-Gly-Met-Gly)2] and [(Gly-Leu)4], are comprehensively investigated across different bilayers, including 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC), a mixed model membrane (POPE/POPG), realistic yeast membrane. The results demonstrate that both CPNTs maintain their tubular structures in all with showing increased over an extended period these membranes. insertion shows negligible impact on bilayer properties, area per lipid, volume thickness. study demonstrates CPNT preserves its two-line water movement pattern membranes, reaffirming potential channels. MSD curves further reveal dynamics molecules inside nanotube similar systems minor differences arise due to environments.

Language: Английский

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Theoretical Insights into the Inhibitory Mechanism of EGCG-Functionalized Gold Nanoparticles on hIAPP Protofibrils

BioNanoScience, Journal Year: 2024, Volume and Issue: 15(1)

Published: Dec. 13, 2024

Language: Английский

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Modulating the Self-Assembly of a Camptothecin Prodrug with Paclitaxel for Anticancer Combination Therapy: A Molecular Dynamics Approach

The Journal of Physical Chemistry B, Journal Year: 2024, Volume and Issue: unknown

Published: Sept. 4, 2024

Camptothecin (CPT) and paclitaxel (PTX), derived from natural products, are recognized for their significant efficacy in clinical cancer treatments. Despite its therapeutic advantages, CPT is challenged by issues of toxicity solubility, necessitating use conjugation with other compounds enhanced compatibility. This study delves into the coassembly mechanism Evans blue-conjugated camptothecin (EB-CPT) PTX, aiming to elucidate synergistic potential combination therapy applications, employing all-atom molecular dynamics simulations. The EB-CPT prodrug reported form a self-aggregated cluster. Our findings suggest that increasing PTX concentration induces dispersion clusters, thereby disrupting inherent self-assembly. disruption explained be facilitated PTX. With lengthening coassembled structures observed, supporting experimental tube-like at higher weight ratios Hydrophobic interactions π-π stacking primary forces responsible formation both self- structures. Interestingly, structural analysis reveals moiety less involved assemblies due steric hindrances. Instead, interaction processes predominantly mediated EB derivative component prodrug. research underscores critical role solubilizing agent, derivative, mediating flexibility strategies, particularly thus emphasizing importance conjugates developments. Furthermore, insights sites mechanisms facilitating between contribute valuable knowledge field, highlighting these nanomedicine combinations advancing treatment modalities.

Language: Английский

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Computational insight into the peptide-based inhibition of α-cobratoxin

Physical Chemistry Chemical Physics, Journal Year: 2024, Volume and Issue: unknown

Published: Jan. 1, 2024

An 8-mer peptide (YMWDGWYM) binds to two units of α-cobratoxin in a sequential manner, with the N-terminal YM binding first followed by C-terminal YM, masking residues toxin responsible for nicotinic acetylcholine receptor.

Language: Английский

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Enhanced Thermal Conductivity of Thermoplastic Polyimide Nanocomposites: Effect of Using Hexagonal Nanoparticles

Polymers, Journal Year: 2024, Volume and Issue: 16(23), P. 3231 - 3231

Published: Nov. 21, 2024

Thermoplastic polyimides have garnered significant interest in the electronic and electrical industries owing to their performance characteristics. However, relatively low thermal conductivity coefficients pose a challenge. To address this issue, study focused on properties of nanocomposites comprising two thermoplastic semicrystalline R-BAPB BPDA-P3, one amorphous polyimide ULTEM

Language: Английский

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