Papers

20 results
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Article Tier 2

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

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.

2025 Environmental Pollution 1 citations
Article Tier 2

Exploring the Potential Mechanism of Polyethylene Terephthalate Associated Cardiotoxicity through Network Toxicology and Molecular Docking

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.

2026 ACS Omega
Article Tier 2

Evaluating the toxicological effects of PET-MPs exposure on atherosclerosis through integrated network toxicology analysis and experimental validation

Researchers used network toxicology analysis and laboratory experiments to investigate how polyethylene terephthalate microplastics may contribute to atherosclerosis. They identified several molecular targets and biological pathways through which these microplastics could promote plaque formation in blood vessels. The study provides preliminary evidence that a commonly encountered type of microplastic may interact with cardiovascular disease mechanisms, though further research is needed to confirm these findings.

2026 Naunyn-Schmiedeberg s Archives of Pharmacology 1 citations
Article Tier 2

The toxicological impact of PET-MPs exposure on atherosclerosis: insights from network toxicology, molecular docking, and machine learning

Researchers used network toxicology, molecular docking, and machine learning to identify how PET microplastics may promote atherosclerosis, narrowing 28 candidate targets to seven key genes and predicting interactions with atherosclerosis-relevant pathways including inflammation and lipid metabolism.

2025 Scientific Reports
Article Tier 2

Elucidating the Mechanism of Polyethylene Terephthalate Micro / Nanoplastics Inducing Gestational Diabetes Mellitus through Network Toxicology and Molecular Docking Analysis

Researchers used computer modeling to investigate how tiny plastic particles shed from PET water bottles and packaging may contribute to gestational diabetes, identifying three key regulatory proteins (STAT1, PIK3R1, PTPN11) that PET microplastics appear to disrupt. The findings suggest these particles could interfere with insulin signaling during pregnancy, pointing to a potential environmental driver of a condition that affects millions of expectant mothers.

2025 Research Review 2 citations
Article Tier 2

Polyethylene terephthalate microplastics promote pulmonary fibrosis via AKT1, PIK3CD, and PIM1: A network toxicology and multi-omics analysis

Using computational toxicology and multi-omics analysis, researchers identified three key proteins (AKT1, PIK3CD, and PIM1) through which PET microplastics may promote pulmonary fibrosis, a serious scarring disease of the lungs. The microplastics appear to affect metabolic and inflammatory pathways in specific lung and immune cells. This study provides molecular evidence for how inhaled plastic particles from everyday items could contribute to chronic lung disease.

2025 Ecotoxicology and Environmental Safety 5 citations
Article Tier 2

Integrative network toxicology and molecular docking preliminarily explore the potential role of polystyrene microplastics in childhood obesity

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.

2026 Figshare
Article Tier 2

The impact of polyethylene terephthalate microplastics on the pathogenesis of atherosclerosis: Focusing on network toxicology and target gene detection

Researchers used network toxicology and gene analysis to investigate how PET microplastics may influence atherosclerosis, the buildup of plaque in arteries. They identified specific genes involved in inflammation and immune cell signaling that are affected by both PET exposure and atherosclerosis development. The study suggests that microplastic exposure could worsen cardiovascular disease through shared inflammatory pathways.

2025 Ecotoxicology and Environmental Safety 3 citations
Article Tier 2

Integrated network toxicology, machine learning, molecular docking and experimental validation to elucidate mechanism of polyethylene terephthalate microplastics inducing periodontitis

Researchers combined computational biology, machine learning, and laboratory experiments to explore how polyethylene terephthalate microplastics might contribute to periodontitis, a common gum disease. They identified key molecular targets and signaling pathways through which microplastics could promote gum tissue inflammation. The study provides the first evidence linking microplastic exposure to the biological mechanisms underlying periodontal disease.

2025 Environment International 2 citations
Article Tier 2

Network toxicology and bioinformatics analysis reveal the molecular mechanisms of polyethylene terephthalate microplastics in exacerbating diabetic nephropathy

This computational study used bioinformatics to explore how polyethylene terephthalate (PET) microplastics might worsen diabetic kidney disease. The analysis identified key genes and inflammatory pathways that are affected by both PET microplastics and kidney damage in diabetes. The findings suggest that microplastic exposure could accelerate kidney problems in people who already have diabetes, though lab and clinical studies are needed to confirm this.

2025 Scientific Reports 6 citations
Article Tier 2

Toxicity evaluation of microplastics to aquatic organisms through molecular simulations and fractional factorial designs

Researchers used molecular docking, molecular dynamics, and fractional factorial design to evaluate the toxicity of ten common microplastic types to zebrafish, identifying polystyrene and polyvinylchloride as the most toxic based on binding interactions with key biological proteins.

2022 Chemosphere 33 citations
Article Tier 2

Integrative network toxicology and molecular docking preliminarily explore the potential role of polystyrene microplastics in childhood obesity

Researchers used computational methods including network toxicology, machine learning, and molecular docking to explore how polystyrene microplastics might contribute to childhood obesity. They identified 40 overlapping genes between obesity-related and microplastic-affected pathways, concentrated in lipid metabolism and insulin signaling. The study suggests that polystyrene microplastics may act as environmental triggers capable of disrupting metabolic balance by interacting with key regulatory genes.

2026 Figshare
Article Tier 2

Microplastic exposure and allergic rhinitis: Network toxicology, and molecular docking insights

Researchers used network toxicology and molecular docking approaches to investigate how microplastic exposure may contribute to allergic rhinitis. The study identified key molecular mediators through which microplastics may drive respiratory inflammation pathways, and found that resveratrol could potentially modulate these pathways, offering insights into the mechanisms linking microplastic exposure to allergic respiratory conditions.

2025 PLoS ONE 1 citations
Article Tier 2

Unveiling the pathogenic mechanisms of polyethylene terephthalate-microplastic-driven osteoarthritis and rheumatoid arthritis: PTGS2 signaling hub-oriented toxicity profiling

Researchers used computational analysis to investigate how PET microplastics might contribute to joint diseases like osteoarthritis and rheumatoid arthritis. They identified the PTGS2 gene, involved in inflammation, as a central hub connecting microplastic exposure to joint disease pathways. The study suggests that microplastics may worsen joint inflammation through specific molecular mechanisms, though further laboratory and clinical research is needed to confirm these computational findings.

2025 Ecotoxicology and Environmental Safety 2 citations
Article Tier 2

Investigating the link between microplastic exposure (benzyl butyl phthalate) and neurodegenerative diseases using high-performance computational toxicology

Researchers used computational toxicology methods to investigate potential links between benzyl butyl phthalate, a plasticizer associated with microplastic exposure, and neurodegenerative diseases. The analysis revealed that this compound has the potential to interact with proteins PRKN and PDK1, which are involved in neurological function. The study suggests a possible molecular mechanism by which microplastic-associated chemicals could contribute to neurodegeneration, though further experimental validation is needed.

2024 Toxicology Research 2 citations
Article Tier 2

Aquatic toxicity of tire microplastics on marine and freshwater organisms: An in silico approach

Researchers used computational methods including molecular docking and dynamics simulations to assess tire microplastic toxicity in marine and freshwater organisms, identifying specific tire additives and their molecular-level interactions with biological targets in zebrafish.

2022 Chemosphere 27 citations
Article Tier 2

Exploring the prognostic implications of PET microplastic degradation products in colorectal cancer: insights from an integrated computational analysis on glucocorticoid pathway–mediated mechanisms

Researchers used network toxicology, machine learning, and molecular docking to investigate how PET degradation products—ethylene glycol and terephthalic acid—affect colorectal cancer prognosis through the glucocorticoid signaling pathway. The analysis identified 43 shared target genes, suggesting that PET breakdown products may worsen colorectal cancer outcomes by dysregulating glucocorticoid-mediated anti-inflammatory and cell survival signals.

2025 International Journal of Environmental Health Research
Article Tier 2

Exploring the prognostic implications of PET microplastic degradation products in colorectal cancer: insights from an integrated computational analysis on glucocorticoid pathway–mediated mechanisms

Combining network toxicology, machine learning, and molecular docking, this study found that PET plastic degradation products ethylene glycol and terephthalic acid may influence colorectal cancer prognosis through 43 shared genes linked to TNF/IL-17 signaling and glucocorticoid-mediated metabolic pathways.

2025 Figshare
Article Tier 2

Analyzing the toxicological effects of PET-MPs on male infertility: Insights from network toxicology, mendelian randomization, and transcriptomics

Using network toxicology, Mendelian randomisation, and transcriptomic analysis, researchers identified mechanisms by which PET microplastics may impair male fertility, linking shared gene targets to testicular oxidative stress, hormonal disruption, and spermatogenesis interference. The multi-evidence approach strengthens the case for a causal role of PET-MP exposure in male infertility.

2025 Reproductive Biology
Article Tier 2

Does size matter? Toxicity of polyethylene terepthalate nanoplastics of different sizes on aquatic organisms based on molecular docking and machine learning methodology

Researchers used molecular docking and multilayer perceptron artificial neural networks to assess the size-dependent toxicity of PET nanoplastics (1-25 nm) on acetylcholinesterase in electric ray fish and cytochrome P450 in zebrafish, finding that binding affinity generally increased with particle size up to 16 nm and that mid-range sizes showed higher inhibitory potential than the native enzyme inhibitor.

2022 Zenodo (CERN European Organization for Nuclear Research)