Pub. Date : 2021 Mar 5
PMID : 33158646
2 Functional Relationships(s)Download |
Sentence | Compound Name | Protein Name | Organism |
| 1 | Computational study on the metabolic activation mechanism of PeCDD by Cytochrome P450 1A1. | 1,2,3,7,8-pentachlorodibenzo-p-dioxin | cytochrome P450 family 1 subfamily A member 1 | Homo sapiens |
| 2 | Here we have applied molecular dynamic simulations (MD), quantum mechanics/molecular mechanics methods (QM/MM) and density functional theory (DFT) to investigate the metabolic activation and transformation of PeCDD catalyzed by CYP1A1. | 1,2,3,7,8-pentachlorodibenzo-p-dioxin | cytochrome P450 family 1 subfamily A member 1 | Homo sapiens |