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Protocol describes a workflow to identify molecular mechanisms of pollutants in human diseases, suggesting significant implications for health assessments.
Here, we present a computational workflow for identifying and analyzing the molecular mechanisms through which environmental pollutants may contribute to human diseases. We describe steps for integrating network toxicology and molecular docking to enable systematic prediction of pollutant-target-disease relationships and structure-based plausibility assessment of molecular interactions. This protocol provides a reproducible and scalable framework applicable to diverse environmental compounds and disease models.
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Hong et al. (2026) studied this question.
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