Integrating Network Toxicology, Machine Learning, and Molecular Dynamics to Explore the Molecular Network of Triclosan-Induced Acute Myocardial Infarction - PubMed
3 hours ago
- #acute myocardial infarction
- #machine learning
- #molecular dynamics
- Triclosan (TCS) exposure is linked to increased risk of acute myocardial infarction (AMI).
- The study integrated network toxicology, machine learning, molecular simulations, and in vitro assays to explore the underlying mechanisms.
- 37 candidate genes were identified through differential expression analysis and WGCNA, refined to 8 core regulators (including PTGS2) via machine learning.
- Molecular docking and MD simulations confirmed stable binding of TCS to PTGS2.
- TCS upregulated PTGS2 and the injury marker cTnI in cardiomyocytes, an effect reversed by the PTGS2 inhibitor celecoxib.
- PTGS2 was established as a critical mediator of TCS-induced cardiomyocyte injury, suggesting a potential therapeutic target.