In-silico toxicity analysis for interaction between Organophosphates and Acetyl cholinesterase through molecular level simulation DOI Creative Commons
Tanya Singh, Awadhesh Kumar Verma

Research Square (Research Square), Journal Year: 2024, Volume and Issue: unknown

Published: Dec. 12, 2024

Abstract Organophosphates act as the chief constituents of pesticides and nerve agents, their toxicological effects have caused harm not just to our environment but human beings well. Here, we observed how interaction (OPs) with synaptic enzyme Acetylcholinesterase (AChE) can provide effective insights into studying biological manifestation OPs causing ailments like neurodegenerative diseases. To further analyze these OP components when bound functional enzymes in body induce disorders, present an in-silicoanalysis toxicity by Acetyl cholinesterase (AChE), responsible for regulating neuronal signalling transmission among muscles motor nerves. Computational analysis was done using molecular docking density theory (DFT) approaches, where simulations helped determine binding affinity evaluation, sites, conformations AChE docked OPs. DFT estimations explored mechanisms toxicity, electronic properties reactivity compounds selectively. Through results, relatively strong affinities between which suggested potential interference enzyme's function. The dynamics provided important basis organophosphate emphasizing importance functioning enzymes. Such computational approach could a valuable framework toxicology prediction, along in-vitro in-vivo experiments.

Language: Английский

Dysfunctional mitochondria in age-related neurodegeneration: Utility of melatonin as an antioxidant treatment DOI Creative Commons
Russel J. Reıter, Ramaswamy Sharma, Walter Manucha

et al.

Ageing Research Reviews, Journal Year: 2024, Volume and Issue: 101, P. 102480 - 102480

Published: Sept. 3, 2024

Mitochondria functionally degrade as neurons age. Degenerative changes cause inefficient oxidative phosphorylation (OXPHOS) and elevated electron leakage from the transport chain (ETC) promoting increased intramitochondrial generation of damaging reactive oxygen nitrogen species (ROS RNS). The associated progressive accumulation molecular damage causes an increasingly rapid decline in mitochondrial physiology contributing to aging. Melatonin, a multifunctional free radical scavenger indirect antioxidant, is synthesized matrix neurons. Melatonin reduces ETC elevates ATP production; it also detoxifies ROS/RNS via SIRT3/FOXO pathway upregulates activities superoxide dismutase 2 glutathione peroxidase. influences glucose processing by In neurogenerative diseases, often adopt Warburg-type metabolism which excludes pyruvate mitochondria causing reduced acetyl coenzyme A production. Acetyl supports citric acid cycle OXPHOS. Additionally, required co-substrate for arylalkylamine-N-acetyl transferase, rate limits melatonin synthesis; therefore, production diminished cells that experience making more vulnerable stress. Moreover, endogenously produced diminishes during aging, further increasing components. More normal preserved aging with supplementation.

Language: Английский

Citations

12
Gallic acid alleviates Alzheimer's disease by inhibiting p38/MAPK signaling pathway DOI
Jiaxin Wang, Qingling Wang,

Xiao Tu

et al.

Journal of Functional Foods, Journal Year: 2025, Volume and Issue: 127, P. 106745 - 106745

Published: March 21, 2025

Language: Английский

Citations

0
[18F]Mefway: Imaging Serotonin 5HT1A Receptors in Human Postmortem Alzheimer’s and Parkinson’s Disease Anterior Cingulate. Potential Applications to Human Positron Emission Tomography Studies DOI Creative Commons

Noresa L. Gonzaga,

Fariha Karim,

Christopher Liang

et al.

Biomolecules, Journal Year: 2025, Volume and Issue: 15(4), P. 592 - 592

Published: April 16, 2025

Serotonin 5HT1A receptors may be affected in neurodegeneration, such as Alzheimer's disease (AD) and Parkinson's (PD). Using the selective receptor positron emission tomography (PET) imaging agent, [18F]mefway, autoradiographic studies from postmortem human brains of AD, PD, cognitively normal (CN) subjects were carried out. Levels [18F]mefway binding compared with monoamine oxidase A (MAO-A) measured using [18F]FAZIN3 dopamine D2/D3 [18F]fallypride same subjects. Autoradiograms brain sections anterior cingulate corpus callosum CN, AD (n = 6 each group) analyzed. Significant increased was found (+30%) PD (+11%) to CN brains. This increase positively correlated binding, suggesting greater availability when MAO-A levels are higher. Differences three groups not significant. Our results support finding that is elevated cortex negatively MAO-A. upregulation potentially a response lower serotonin due activity this region or other neuroinflammatory changes. Thus, potential target for diagnostic therapeutic approaches PD.

Language: Английский

Citations

0
Single-atom nanozymes for enhanced electrochemical biosensing: A review DOI

Xiaofei Zhu,

Can Xiong, Huang Zhou

et al.

Talanta, Journal Year: 2025, Volume and Issue: 294, P. 128179 - 128179

Published: April 25, 2025

Language: Английский

Citations

0
In-silico toxicity analysis for interaction between Organophosphates and Acetyl cholinesterase through molecular level simulation DOI Creative Commons
Tanya Singh, Awadhesh Kumar Verma

Research Square (Research Square), Journal Year: 2024, Volume and Issue: unknown

Published: Dec. 12, 2024

Abstract Organophosphates act as the chief constituents of pesticides and nerve agents, their toxicological effects have caused harm not just to our environment but human beings well. Here, we observed how interaction (OPs) with synaptic enzyme Acetylcholinesterase (AChE) can provide effective insights into studying biological manifestation OPs causing ailments like neurodegenerative diseases. To further analyze these OP components when bound functional enzymes in body induce disorders, present an in-silicoanalysis toxicity by Acetyl cholinesterase (AChE), responsible for regulating neuronal signalling transmission among muscles motor nerves. Computational analysis was done using molecular docking density theory (DFT) approaches, where simulations helped determine binding affinity evaluation, sites, conformations AChE docked OPs. DFT estimations explored mechanisms toxicity, electronic properties reactivity compounds selectively. Through results, relatively strong affinities between which suggested potential interference enzyme's function. The dynamics provided important basis organophosphate emphasizing importance functioning enzymes. Such computational approach could a valuable framework toxicology prediction, along in-vitro in-vivo experiments.

Language: Английский

Citations

2