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Investigation of the molecular network underlying PET-MPs-induced inflammatory bowel disease via integrated machine learning and molecular docking approaches
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Scientists used computer models to explore whether PET microplastics—tiny plastic particles from common plastic bottles and packaging—could play a role in inflammatory bowel disease (IBD), a painful digestive condition. Using data analysis and computer simulations (not tests in humans or animals), they found that a PET-related compound may bind to 14 specific genes linked to Crohn's disease and ulcerative colitis, suggesting a possible way microplastics could contribute to gut inflammation. This is early, computer-based research meant to guide future lab studies—it doesn't prove microplastics cause IBD in people, but it str
Polyethylene terephthalate microplastics (PET-MPs), as environmental contaminants, have raised significant concerns due to their potential toxicity, leading to serious environmental pollution and health issues. However, their impact on inflammatory bowel disease (IBD) remains poorly elucidated. This study aims to investigate the potential molecular mechanisms linking PET-MPs to IBD pathogenesis. Multiple datasets were employed to identify Crohn's disease (CD)- and ulcerative colitis (UC)-associated targets. Multi-machine learning approaches were combined with molecular docking of a PET-related compound to evaluate potential binding interactions with the identified hub targets. This study delineated 9 putative targets associated with PET-MPs-related CD pathogenesis and 17 potential targets associated with UC pathogenesis. For CD, GBM showed the best performance among all models, with a mean ROC-AUC of 0.862; for UC, RF performed best, with a mean ROC-AUC of 0.806, based on both training and validation sets. Multi-machine learning analysis identified 14 hub genes as candidate key regulatory factors. SHAP analysis highlighted their significant contributions to the model predictions. Molecular docking simulations suggested favorable binding affinities between a PET-related compound and the hub targets. This study suggests that PET-MPs may contribute to IBD pathogenesis by potentially interacting with 14 machine learning-prioritized hub genes. Molecular docking analyses indicated predicted high-affinity binding between a PET-related compound and these targets. Collectively, these findings provide a hypothesis-generating framework for investigating the potential role of PET-MPs in IBD progression.
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Polyethylene Terephthalate Microplastics Exposure Enhances the Risk of Ulcerative Colitis: Insights From Multi-Omics Integration, Machine Learning, and Molecular Docking Reveal Intestinal Toxicity Mechanisms: A Commentary
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This commentary discusses a study linking polyethylene terephthalate (PET) microplastics to increased risk of ulcerative colitis, using machine learning, genomic analysis, and molecular docking. The authors raise methodological questions to help strengthen this emerging line of research connecting plastic exposure to gut inflammation.
Polyethylene terephthalate microplastics exposure enhances the risk of ulcerative colitis: insights from multiomics integration, machine learning, and molecular docking reveal intestinal toxicity mechanisms
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Using multiomics integration, machine learning, and molecular docking, this study identified mechanisms by which PET microplastic exposure may increase the risk of ulcerative colitis. Key pathways included intestinal barrier disruption, immune dysregulation, and oxidative stress triggered by PET-MP-protein interactions.
Computational prediction of potential aggravating mechanisms of polyethylene terephthalate microplastics in diabetic foot ulcers: An integrated in silico approach combining network toxicology, bioinformatics, machine learning, and molecular dynamics simulations
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Using computer modeling (not actual patient testing), researchers found clues that tiny plastic particles from PET plastic (commonly used in water bottles and food packaging) might make diabetic foot ulcers worse by interfering with genes that help repair cell damage and regulate blood sugar processing. While these findings are just a starting point—based on computer simulations rather than lab or human studies—they add to growing concerns that microplastics in our environment could impact chronic health conditions like diabetes complications, making this an area worth watching as research continues.
Assessing the toxicological impact of PET-MPs exposure on IVDD: Insights from network toxicology and molecular docking
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Using computer modeling and molecular analysis, researchers identified key biological targets through which PET microplastics (the type found in plastic bottles) may contribute to spinal disc degeneration. The study found that PET particles could disrupt immune pathways, cell death processes, and tissue breakdown, suggesting a potential link between microplastic exposure and degenerative spinal conditions.
Integrating network toxicology and in vitro validation to elucidate PET microplastic-induced osteoarthritis pathogenesis
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Scientists found that PET microplastics — tiny plastic particles from common plastic bottles and packaging — may worsen osteoarthritis by triggering inflammation and damaging cartilage cells at the molecular level. Using computer modeling and lab tests on cartilage cells, they pinpointed six specific genes that get switched on or off when exposed to these plastic particles, offering early clues about how everyday plastic pollution might contribute to joint disease. While this is still early-stage lab research (not yet tested in humans), it adds to growing evidence that microplastics in our environment could have real effects on joint health.
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