Potential nanomedicinal applications and physicochemical nature of Hyphaene thebaica‐reduced nano‐samaria

Microscopy Research and Technique, Год журнала: 2024, Номер 87(12), С. 2829 - 2841

Опубликована: Июль 15, 2024

Herein we described the biofabrication of samarium oxide nanoparticles (HT-Sm

Язык: Английский

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Essential Oils and Sustainability: In Vitro Bioactivity Screening of Myristica fragrans Houtt. Post-Distillation By-Products

Plants, Год журнала: 2023, Номер 12(9), С. 1741 - 1741

Опубликована: Апрель 23, 2023

The essential oil of Myristica fragrans Hutt. (nutmeg) is an important commodity used as a flavoring agent in the food, pharmaceutical, and cosmetic fields. Hydrodistillation chiefly employed at industrial scale for nutmeg isolation, but such technique generates large quantities post-distillation by-products (e.g., spent plant material residual distillation water). Therefore, our work aimed to propose novel strategy valorization wastes, with beneficial economic ecological advantages. Thus, current study assessed phytochemical (GC-MS, LC-HRMS/MS) biological (antioxidant, enzyme inhibitory, antimicrobial) profile crude materials (essential total extract) (residual water extract). Identified these were 43 volatile compounds, sabinene (21.71%), α-pinene (15.81%), myristicin (13.39%), β-pinene (12.70%) main constituents. LC-HRMS/MS analysis extracts noted fifteen metabolites organic acids, flavonoids, phenolic lignans, diarylnonanoids). Among investigated samples, extract was highlighted source bioactive flavonoid content 63.31 ± 0.72 mg GAE/g 8.31 0.06 RE/g, respectively. Moreover, it showed prominent radical-scavenging metal-reducing properties significantly inhibited butyrylcholinesterase (4.78 0.03 GALAE/g). Further, displayed strong antimicrobial effects against Streptococcus pneumoniae, Micrococcus luteus, Bacillus cereus (minimum inhibitory concentrations 62.5 mg/L). Overall, brings evidence on health-promoting anti-enzymatic, potential future reference their cosmeceutical, food industries.

Язык: Английский

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3D-QSAR-based pharmacophore modelling of quinazoline derivatives for the identification of acetylcholinesterase inhibitors through virtual screening, molecular docking, molecular dynamics and DFT studies

Journal of Biomolecular Structure and Dynamics, Год журнала: 2024, Номер unknown, С. 1 - 15

Опубликована: Фев. 8, 2024

Alzheimer's disease (AD) is a progressive neurological disorder responsible for the cognitive dysfunction and impairment in patients. Acetylcholinesterase inhibitors (AChEIs) are used to treat AD however, these only provided symptomatic relief more efficient drug molecules desired effective treatment of disease. In this article, ligand-based drug-designing strategy was develop validate field-based 3D-QSAR pharmacophore model on quinazoline-based AChEIs reported literature. The validated (AAAHR_1) as prefilter screen an ASINEX database via virtual screening workflow (VSW). hits generated were subjected MM-GBSA identify potential top three scoring (BAS 05264565, LEG 12727144 SYN 22339886) evaluated thermodynamic stability at target site using molecular dynamic simulations. Additionally, DFT study performed predict reactivity lead towards acetylcholinesterase (AChE). Thus, by utilising various computational tools, identified potent that can be developed candidates AD.

Язык: Английский

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In vitro and in vivo Investigations of 4-Substituted 2-Phenylquinazoline derivatives as multipotent ligands for the treatment of Alzheimer’s disease

Bioorganic Chemistry, Год журнала: 2025, Номер 155, С. 108126 - 108126

Опубликована: Янв. 4, 2025

Язык: Английский

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Biomarker Identification for Alzheimer’s Disease Using a Multi-Filter Gene Selection Approach

International Journal of Molecular Sciences, Год журнала: 2025, Номер 26(5), С. 1816 - 1816

Опубликована: Фев. 20, 2025

There is still a lack of effective therapies for Alzheimer's disease (AD), the leading cause dementia and cognitive decline. Identifying reliable biomarkers therapeutic targets crucial advancing AD research. In this study, we developed an aggregative multi-filter gene selection approach to identify biomarkers. This method integrates hub ranking techniques, such as degree bottleneck, with feature algorithms, including Random Forest Double Input Symmetrical Relevance, applies aggregation improve accuracy robustness. Five publicly available AD-related microarray datasets (GSE48350, GSE36980, GSE132903, GSE118553, GSE5281), covering diverse brain regions like hippocampus frontal cortex, were analyzed, yielding 803 overlapping differentially expressed genes from 464 492 normal cases. An independent dataset (GSE109887) was used external validation. The identified 50 prioritized genes, achieving AUC 86.8 in logistic regression on validation dataset, highlighting their predictive value. Pathway analysis revealed involvement critical biological processes synaptic vesicle cycles, neurodegeneration, function. These findings provide insights into potential AD.

Язык: Английский

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Exploring Pyridinium-Based Inhibitors of Cholinesterases: A Review of Synthesis, Efficacy, and Structural Insights

European Journal of Medicinal Chemistry Reports, Год журнала: 2025, Номер unknown, С. 100270 - 100270

Опубликована: Апрель 1, 2025

Язык: Английский

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The involvement of the cholinergic system in Alzheimer disease

Handbook of clinical neurology, Год журнала: 2025, Номер unknown, С. 63 - 79

Опубликована: Янв. 1, 2025

Язык: Английский

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Unlocking Transcranial FUS-EEG Feature Fusion for Non-Invasive Sleep Staging in Next-Gen Clinical Applications

Neuroscience Informatics, Год журнала: 2025, Номер unknown, С. 100209 - 100209

Опубликована: Май 1, 2025

Язык: Английский

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Nanocarrier-based targeted drug delivery for Alzheimer’s disease: addressing neuroinflammation and enhancing clinical translation

Frontiers in Pharmacology, Год журнала: 2025, Номер 16

Опубликована: Май 14, 2025

Alzheimer's disease (AD) is a progressive neurodegenerative disorder characterized by cognitive decline, amyloid-beta (Aβ) aggregation, tau pathology, and chronic neuroinflammation. Among these, neuroinflammation plays crucial role in exacerbating progression, making it an attractive therapeutic target. However, the presence of blood-brain barrier (BBB) significantly limits effective delivery agents to brain, necessitating novel drug strategies. Nanocarrier-based systems have emerged as promising solution these challenges, offering targeted transport, enhanced BBB penetration, improved bioavailability while minimizing systemic toxicity. This review explores current advancements nanocarrier-mediated for AD, focusing on mechanisms neuroinflammation, nanocarriers overcoming BBB, their ability modulate inflammatory pathways. Furthermore, discusses preclinical validation strategies key including safety concerns, large-scale production limitations, regulatory hurdles that must be addressed enable clinical translation. Future perspectives emphasize integration nanotechnology with precision medicine, gene therapy, artificial intelligence optimize nanocarrier design individualized AD treatment. By obstacles, hold potential revolutionize approaches other diseases.

Язык: Английский

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2D-QSAR-guided design of potent carbamate-based inhibitors of acetylcholinesterase

PLoS ONE, Год журнала: 2025, Номер 20(5), С. e0320789 - e0320789

Опубликована: Май 20, 2025

Alzheimer’s disease (AD) causes a progressive decline in memory, along with impairments other cognitive abilities. The main pharmacological target for treatment is acetylcholinesterase (AChE), biochemical enzyme belonging to the cholinesterase (ChE) family. In search novel hit compoundswith potential as future Alzheimer's therapies, series of carbamates derivatives were designed and evaluated using computational approaches including QSAR modeling, molecular docking, ADMET profiling, dynamics simulations. following study focused on development model satisfactory statistical properties. analysis ligands, demonstrated good pharmacokinetic Molecular docking identified M6 promising AChE binder score -11.200 kcal/mol, while Donepezil control returned -10.800 kcal/mol. validity docked complex was confirmed simulations, where trajectory plots found be stable consistent over 100 ns intervals. enclosed highlights chemical starting point (CSP) (i.e., compound) targeting therapeutic strategy against AD.

Язык: Английский

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