Combined Experimental and Computational Investigations of 4‐Amino‐2‐Chloro‐6,7‐Dimethoxyquinazoline as Potential Anti‐Alzheimer Agent DOI

Karthikeyan Asokan,

Karthik Nallasamy,

S. Sivaraman

et al.

International Journal of Quantum Chemistry, Journal Year: 2024, Volume and Issue: 124(24)

Published: Dec. 10, 2024

ABSTRACT Alzheimer's disease (AD) is a neurodegenerative condition that leads to the deterioration of brain cells, resulting in memory loss, thinking, and executive skills. In this work, 4‐amino‐2‐chloro‐6,7‐dimethoxyquinazoline (ACDQ) has been studied using 6–311++G(d,p) B3LYP functional density theory (DFT) approach utilizing basis set. Geometry optimization fundamental vibrational frequencies are calculated above method. The spectroscopic investigations such as FT‐IR, FT‐Raman, UV–Vis spectra performed on selected compound. time‐dependent DFT calculations gas water phases determine electronic properties energy gap same Charge distributions have used illustrate between highest occupied lowest unoccupied molecular orbitals. Mulliken population analysis atomic charges ACDQ. From natural bond orbital analysis, it observed there significant electron delocalization ACDQ due presence intramolecular interactions. To evaluate ACDQ's anti‐Alzheimer potential, docking simulation assess its structural stability biological activity against proteins associated with disease. Our study revealed that, strong interaction 4EY7 protein binding −8.1 kcal mol −1 . Additionally, metrics root mean square deviation (RMSD), fluctuation (RMSF), radius gyration considered ( R g ) were computed dynamics simulations protein–ligand interaction. Studies ADMET prediction also carried out. findings current support potential an effective lead therapeutic for

Language: Английский

Longitudinal associations between pain and cognitive decline in middle-aged and older Chinese adults: the mediating role of depressive symptoms DOI Creative Commons
Xian Wu Cheng, Kun Zhang, Jiayang Liu

et al.

Frontiers in Public Health, Journal Year: 2025, Volume and Issue: 13

Published: March 31, 2025

Objective The primary aim of this scholarly investigation was to elucidate the correlation between Number Pain Sites and cognitive decline within older adult population. Additionally, study sought examine potential mediating influence depressive symptoms in moderating association pain deterioration. Methods We analyzed 8,835 participants aged 45 above, with data collected from 2011 2018. Participants were categorized into two groups—stable rapidly declining function—using KML3D clustering method. Binary logistic regression analysis conducted status, symptoms, trajectories, mediation used assess role depression. Results Multi-site significantly associated risk rapid (adjusted OR = 1.30, 95% CI: 1.14–1.48), also a significant predictor 1.49, 1.32–1.68). Mediation revealed that depression mediated effect on decline, accounting for 25.71% total effect. Conclusion Our establishes longitudinal link part by symptoms. This finding underscores need interventions address potentially decelerate adults.

Language: Английский

Citations

0
Longitudinal bidirectional association between hand grip strength and cognitive function in Chinese older adults: Evidence from the China health and retirement longitudinal study DOI
Jiyu Chen,

Xieting Zhou,

Hang Li

et al.

The International Journal of Psychiatry in Medicine, Journal Year: 2025, Volume and Issue: unknown

Published: April 10, 2025

Objective This study examined the longitudinal reciprocal association between handgrip strength and cognitive function temporal sequence of changes in both factors a national cohort Chinese older adults. Method Data were derived from 3 waves (2011 baseline 2013, 2015 follow-up) China Health Retirement Longitudinal Study (CHARLS). Participants those with no memory-related disorders at follow-up, who had complete data. Handgrip least 1 hand was measured all waves. The highest recorded value during test used as outcome measurement. Mental intactness episodic memory to assess overall each wave data collection. Cross-lagged panel models examine relationship cognition over time. Results A total 2550 participants included analysis. Age 60-83 years, 43.9% female (n = 1120). 5.7% weak muscle 145), slightly lower than normal group. Cross-lag analysis showed that scores predicted subsequent strength. At same time, scores. results remained robust after accounting for confounding factors. Conclusion There bidirectional correlation elderly individuals. Future studies should determine whether interventions improve (e.g., strength) might slow development other function).

Language: Английский

Citations

0
Mobile Gaming for Cognitive Health in Older Adults: A Scoping Review of App Store Applications DOI Open Access
Jiadong Yu, Eun-Sun Jung,

D. A. Bekerian

et al.

Healthcare, Journal Year: 2025, Volume and Issue: 13(8), P. 855 - 855

Published: April 9, 2025

Background: Mobile gaming applications are increasingly marketed as cognitive training tools for older adults, yet their scientific validity and accessibility remain uncertain. This scoping review evaluates effectiveness inclusivity. Methods: A systematic search of the Apple App Store Google Play identified 227 applications, with 14 meeting inclusion criteria. Apps were assessed validity, theoretical foundation, accessibility, targeting, user engagement, monetization models. Results: While all apps claimed benefits, only one cited empirical research. None included baseline assessments or progress tracking. Accessibility was limited—eight had visual accommodations, but none provided auditory support. Six English-only, restricting linguistic Monetization varied, eight requiring in-app purchases subscriptions, posing financial barriers. Conclusions: highlights critical gaps in current application market adults. Despite popularity, adults lack validation limiting interventions. Developers should integrate evidence-based training, adaptive assessments, inclusive features such voice guidance multilingual Future research prioritize longitudinal studies to assess real-world efficacy, refine interventions targeting memory, executive function, processing speed, enhance design diverse aging populations.

Language: Английский

Citations

0
Sedentary Life Is an Invisible Trap: Molecular, Cellular, and Systemic Reasons to Leave It Behind DOI Open Access
Daniel Guerreiro Diniz, João Bento‐Torres, Victor Oliveira da Costa

et al.

Published: Aug. 20, 2024

As the global population ages, prevalence of neurodegenerative diseases has become a major public health concern. The adoption less sedentary lifestyle been shown to have beneficial effect on cognitive decline, but molecular mechanisms responsible are clear. Here we provide detailed analysis complex molecular, cellular, and systemic underlying age-related decline how choices influence these processes. A review evidence from animal models, human studies, postmortem analyses emphasizes importance integrating physical exercise with cognitive, multisensory, motor stimulation as part multifaceted approach mitigating decline. We highlight potential non-pharmacological interventions address key aging hallmarks—such genomic instability, telomere attrition, neuroinflammation—and underscore need for comprehensive personalized strategies promote resilience healthy aging.

Language: Английский

Citations

1
Combined Experimental and Computational Investigations of 4‐Amino‐2‐Chloro‐6,7‐Dimethoxyquinazoline as Potential Anti‐Alzheimer Agent DOI

Karthikeyan Asokan,

Karthik Nallasamy,

S. Sivaraman

et al.

International Journal of Quantum Chemistry, Journal Year: 2024, Volume and Issue: 124(24)

Published: Dec. 10, 2024

ABSTRACT Alzheimer's disease (AD) is a neurodegenerative condition that leads to the deterioration of brain cells, resulting in memory loss, thinking, and executive skills. In this work, 4‐amino‐2‐chloro‐6,7‐dimethoxyquinazoline (ACDQ) has been studied using 6–311++G(d,p) B3LYP functional density theory (DFT) approach utilizing basis set. Geometry optimization fundamental vibrational frequencies are calculated above method. The spectroscopic investigations such as FT‐IR, FT‐Raman, UV–Vis spectra performed on selected compound. time‐dependent DFT calculations gas water phases determine electronic properties energy gap same Charge distributions have used illustrate between highest occupied lowest unoccupied molecular orbitals. Mulliken population analysis atomic charges ACDQ. From natural bond orbital analysis, it observed there significant electron delocalization ACDQ due presence intramolecular interactions. To evaluate ACDQ's anti‐Alzheimer potential, docking simulation assess its structural stability biological activity against proteins associated with disease. Our study revealed that, strong interaction 4EY7 protein binding −8.1 kcal mol −1 . Additionally, metrics root mean square deviation (RMSD), fluctuation (RMSF), radius gyration considered ( R g ) were computed dynamics simulations protein–ligand interaction. Studies ADMET prediction also carried out. findings current support potential an effective lead therapeutic for

Language: Английский

Citations

0