Molecular design of lower-oestrogen-activity phthalate acid esters with high fluorescence intensity using pharmacophore model
| Autor: | Youli Qiu, Yu Li, Long Jiang, Shujing Zhang |
|---|---|
| Rok vydání: | 2019 |
| Předmět: |
animal structures
Low oestrogen Chemistry Stereochemistry Health Toxicology and Mutagenesis 010401 analytical chemistry Public Health Environmental and Occupational Health Phthalate Soil Science 010501 environmental sciences 01 natural sciences Pollution 0104 chemical sciences Analytical Chemistry Fluorescence intensity chemistry.chemical_compound Environmental Chemistry Pharmacophore skin and connective tissue diseases Waste Management and Disposal 0105 earth and related environmental sciences Water Science and Technology |
| Zdroj: | International Journal of Environmental Analytical Chemistry. 101:895-910 |
| ISSN: | 1029-0397 0306-7319 |
| DOI: | 10.1080/03067319.2019.1673742 |
| Popis: | A pharmacophore model for phthalate acid ester (PAE) oestrogen activity was constructed. Subsequently, hydrophobic groups at defined substitution sites were introduced to design new low oestrogen activity PAE derivatives. The PAE oestrogen activity pharmacophore model (Hypo 1) had the largest correlation coefficient (R2) of 0.99, the smallest root mean square value of 0.31, and a configuration value of 16.87 ( |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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