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Impact of Di-(2-Ethylhexyl)-Phthalate on Metabolic Syndrome: Insights from Network Toxicology and Molecular Docking and Dynamics
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This study used network toxicology and molecular docking to investigate how the common plasticizer DEHP (di-(2-ethylhexyl) phthalate) may contribute to metabolic syndrome, identifying key molecular targets and pathways through which DEHP exposure could exacerbate metabolic dysfunction, though experimental validation of these mechanistic findings remains needed.
Our study highlights the interaction between environmental pollutants and metabolic dysfunction. These findings highlight the potential role of DEHP in exacerbating MetS and provide a basis for mitigating its health risks through targeted interventions. Further experimental validation is needed in the future to confirm these mechanistic insights.
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Molecular Mechanisms of Phthalates in Depression: An Analysis Based on Network Toxicology and Molecular Docking
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This analysis investigates the molecular pathways through which phthalate exposure may contribute to depression, including effects on hormone signaling, neuroinflammation, and oxidative stress. Phthalates are ubiquitous plasticizers found in food packaging, personal care products, and medical devices, leading to near-universal human exposure. The findings suggest a biologically plausible link between phthalate burden and mental health outcomes, warranting further epidemiological study.
Exploring the Potential Mechanism of Polyethylene Terephthalate Associated Cardiotoxicity through Network Toxicology and Molecular Docking
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Researchers used computational approaches including network toxicology, molecular docking, and molecular dynamics simulations to explore how polyethylene terephthalate microplastics may affect cardiovascular function. The study identified potential molecular pathways through which PET exposure could contribute to cardiotoxicity. The findings provide a theoretical framework for understanding how plastic contaminants might interact with heart-related biological targets.
The Mechanism of Bisphenol S‐Induced Atherosclerosis Elucidated Based on Network Toxicology, Molecular Docking, and Machine Learning
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Researchers used network toxicology, molecular docking, and machine learning to identify four core protein targets through which bisphenol S (BPS) may promote atherosclerosis, finding that the chemical disrupts glutathione and tyrosine metabolism pathways critical to cardiovascular health.
Assessing the toxicological effects of exposure to environmental pollutants PET-MPs on vascular diseases: insights from network toxicology, molecular docking, molecular dynamics, and experimental validation
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Researchers used network toxicology, molecular docking, and cell experiments to investigate how PET microplastics may contribute to vascular diseases. They identified four core molecular targets and found that PET microplastics induced mitochondrial oxidative stress, increased reactive oxygen species, and promoted vascular smooth muscle cell death. The study provides initial molecular-level evidence that microplastic exposure may be a contributing factor in vascular damage and remodeling.
Integrative network toxicology and molecular docking preliminarily explore the potential role of polystyrene microplastics in childhood obesity
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Researchers used an integrative computational approach combining cross-species transcriptomics, network toxicology, and molecular docking to investigate potential links between polystyrene microplastic exposure and childhood obesity. They identified shared gene targets involved in lipid metabolism and insulin signaling pathways, with molecular docking confirming stable binding between microplastic compounds and key metabolic proteins. The findings provide a preliminary molecular hypothesis suggesting microplastics could disrupt metabolic processes relevant to obesity.
Research digests by email
When a large batch of papers lands in the Atlas, we read through it and send a short write-up of what stood out.