Evaluation of computational docking to identify pregnane X receptor agonists in the toxcast database

Medicine & Life Sciences

• Pregnane X Receptor 67%
• Datasets 29%
• Databases 28%
• human NR1I2 protein 16%
• Cytochrome P-450 CYP2B6 13%
• Cytochrome P-450 CYP2C9 12%
• Cytochromes 10%
• Cytochrome P-450 CYP3A 10%
• Pesticides 10%
• Xenobiotics 10%
• National Institutes of Health (U.S.) 9%
• Regulator Genes 9%
• Cytoplasmic and Nuclear Receptors 9%
• Genomics 9%
• Luciferases 8%
• In Vitro Techniques 8%
• Ligands 6%
• Cell Line 5%
• Liver 4%

Chemical Compounds

• Pregnane X Receptor Agonist 100%
• Pregnane 34%
• Agonist 33%
• Industrial Substance 15%
• Xenobiotic Agent 13%
• Hormone 11%
• Pesticide 10%
• Cytochrome 10%
• Pharmacological Metabolism 9%
• Crystal Structure 5%

Social Sciences

• evaluation 21%
• reporter 7%
• activation 6%
• health 3%
• literature 2%