Neurotoxicity Mechanisms of Dioctyl Terephthalate via Network Toxicology

A computational and experimental dataset from a 2026 study investigating the neurotoxic effects of the plasticizer Dioctyl terephthalate (DOTP). The data includes 90 identified neurotoxicity-related protein targets, results from molecular docking and dynamics simulations, and in vivo behavioral and molecular assay results from mice. The dataset was authored by Hao Tang and shared under a CC-BY-4.0 license on figshare.

Use Cases

• Validate predicted protein targets for DOTP based on the 90 identified neurotoxicity-related targets.
• Analyze protein-protein interaction networks for neurotoxicity based on the core nodes (EGFR, BCL2, CASP3, etc.) identified in the study.
• Benchmark molecular docking and dynamics simulation results using the provided binding affinity and stability data.
• Correlate computational predictions with in vivo phenotypic outcomes based on the behavioral and molecular assay data.

Strengths

• Includes results from a multi-method study integrating network toxicology, molecular simulations, and in vivo validation.
• Identifies 90 specific neurotoxicity-related protein targets and 7 core nodes (EGFR, BCL2, CASP3, MAPK8, TLR4, NFKB1, MTOR).
• Shared under a permissive CC-BY-4.0 license, facilitating reuse.

Limitations

• Column-level documentation is absent; field semantics must be inferred after download.
• Row count is unknown, which may limit suitability assessment.
• The dataset is small (172.1 KB), indicating limited scope, likely containing summary results rather than raw experimental data.

Provenance

Source

Hao Tang via figshare.

Collection Method

Generated from a study using Similarity Ensemble Approach (SEA), SwissTargetPrediction, SuperPred, STRING, Cytoscape, AutoDock, GROMACS, and in vivo mouse experiments.

Time Range

Study published in 2026.

Freshness

Last updated 2026-04-10 05:58:40; freshness should be verified.

Geography

Not specified.