[HTML][HTML] Molecular dynamics simulations in drug discovery and pharmaceutical development

OMH Salo-Ahen, I Alanko, R Bhadane, AMJJ Bonvin… - Processes, 2020 - mdpi.com
Molecular dynamics (MD) simulations have become increasingly useful in the modern drug
development process. In this review, we give a broad overview of the current application …

The role of noradrenaline in cognition and cognitive disorders

N Holland, TW Robbins, JB Rowe - Brain, 2021 - academic.oup.com
Many aspects of cognition and behaviour are regulated by noradrenergic projections to the
forebrain originating from the locus coeruleus, acting through alpha and beta …

Near‐Infrared Aggregation‐Induced Emission Luminogens for In Vivo Theranostics of Alzheimer's Disease

T Zhang, X Chen, C Yuan, X Pang… - Angewandte Chemie …, 2023 - Wiley Online Library
Optimized theranostic strategies for Alzheimer's disease (AD) remain almost absent from
bench to clinic. Current probes and drugs attempting to prevent β‐amyloid (Aβ) fibrosis …

[HTML][HTML] High-frequency terahertz waves disrupt Alzheimer's β-amyloid fibril formation

W Peng, Z Zhu, J Lou, K Chen, Y Wu, C Chang - eLight, 2023 - Springer
The accumulation and deposition of amyloid can cause a variety of neurodegenerative
diseases, including Alzheimer's and Parkinson's disease. The degradation or clearance of …

Spontaneous formation of β-sheet nano-barrels during the early aggregation of Alzheimer's amyloid beta

Y Sun, A Kakinen, X Wan, N Moriarty, CPJ Hunt, Y Li… - Nano Today, 2021 - Elsevier
Soluble low-molecular-weight oligomers formed during the early aggregation of amyloid
peptides have been hypothesized as a major toxic species of amyloidogenesis. Herein, we …

[HTML][HTML] Recent developments in molecular modeling tools and applications related to pharmaceutical and biomedical research

P Peluso, B Chankvetadze - Journal of Pharmaceutical and Biomedical …, 2023 - Elsevier
In modern pharmaceutical and biomedical research, molecular modeling represents a
useful tool to explore processes and their mechanistic bases at the molecular level …

Molecular mechanisms of resveratrol and EGCG in the inhibition of Aβ 42 aggregation and disruption of Aβ 42 protofibril: Similarities and differences

F Li, C Zhan, X Dong, G Wei - Physical Chemistry Chemical Physics, 2021 - pubs.rsc.org
The aggregation of amyloid-β protein (Aβ) into fibrillary deposits is implicated in Alzheimer's
disease (AD), and inhibiting Aβ aggregation and clearing Aβ fibrils are considered as …

A comprehensive insight into the mechanisms of dopamine in disrupting Aβ protofibrils and inhibiting Aβ aggregation

Y Chen, X Li, C Zhan, Z Lao, F Li… - ACS Chemical …, 2021 - ACS Publications
Fibrillary aggregates of amyloid-β (Aβ) are the pathological hallmark of Alzheimer's disease
(AD). Clearing Aβ deposition or inhibiting Aβ aggregation is a promising approach to treat …

Noradrenergic neuromodulation in ageing and disease

F Krohn, E Lancini, M Ludwig, M Leiman… - Neuroscience & …, 2023 - Elsevier
The locus coeruleus (LC) is a small brainstem structure located in the lower pons and is the
main source of noradrenaline (NA) in the brain. Via its phasic and tonic firing, it modulates …

Recent advances in the design and applications of amyloid-β peptide aggregation inhibitors for Alzheimer's disease therapy

S Jokar, S Khazaei, H Behnammanesh, A Shamloo… - Biophysical …, 2019 - Springer
Alzheimer's disease (AD) is an irreversible neurological disorder that progresses gradually
and can cause severe cognitive and behavioral impairments. This disease is currently …