ArticleBiochemistry and biophysics reports2024
Unveiling the molecular basis of paracetamol-induced hepatotoxicity: Interaction of
Article in Biochemistry and biophysics reports, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 6 papers.
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Who cites it
6 citing papers in PubMed.
- In situ formation of TiS₂-decorated anatase TiO₂ via sulfate-derived synthesis for enhanced photocatalytic degradation of acetaminophen.Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology · 2026Article
- MetabolEx: Platform for Small-Molecule Metabolites Generation and Metabolic Pathway Prediction.ACS measurement science au · 2026Article
- Association of serum acetaminophen levels with hepatorenal toxicity: A prospective observational study in Tripura, India.Indian journal of pharmacology · 2026Observational
- PLGA nanoparticles encapsulating fibroblast growth factor 21 alleviate acetaminophen-induced acute liver injury.Naunyn-Schmiedeberg's archives of pharmacology · 2026Article
- Ameliorated Hepatoprotective Aptitude of Novel Lignin Nanoparticles on APAP-Induced Hepatotoxicity in a Murine Model.Pharmaceuticals (Basel, Switzerland) · 2025Article
- Multi-omics pan-cancer profiling of CDK2 andRSC advances · 2025Article
Corrections and comments
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Authors and funding
8 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Background and aim: Method: Molecular docking, molecular dynamics simulation, protein-protein interaction networks (PPI), and KEGG metabolic pathway analysis were employed to identify binding characteristics, interaction partners, and their associations with metabolic pathways. A lipid membrane was added to the experimental apparatus to mimic the natural cellular environment of SDH. This modification made it possible to develop a context for investigating the role and interactions of SDH within a cellular ecosystem that was more realistic and biologically relevant. Result: The molecular binding affinity score for APAP and NAPQI with SDH was predicted -6.5 and -6.7 kcal/mol, respectively. Furthermore, RMSD, RMSF, and Rog from the molecular dynamics simulations study revealed that NAPQI has slightly higher stability and compactness compared to APAP at 100 ns timeframe with mitochondrial SDH. Conclusion: This study serves to predict the mechanistic process of paracetamol toxicity by using different computational approaches. In addition, this study will provide information about the drug target against APAP hepatotoxicity.
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Registered trials
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