Structure-activity analysis of fluorinated 1-N-arylamino-1-arylmethane-phosphonic acid esters as inhibitors of the NADH:ubiquinone oxidoreductase (complex I)
✍ Scribed by H. Dronia; U. Gruß; G. Hägele; T. Friedrich; H. Weiss
- Publisher
- Springer Netherlands
- Year
- 1996
- Tongue
- English
- Weight
- 550 KB
- Volume
- 10
- Category
- Article
- ISSN
- 0920-654X
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✦ Synopsis
The structural and electronic properties of fluorinated 1-N-arylamino-l-arylmethanephosphonic acid esters were studied and related to the inhibitory effects on NADH:ubiquinone oxidoreductase (complex I). Electrostatic potential surfaces, dipole moments and molecular geometries were analysed. Based on the conformational analysis and the electronic parameters, a simple model for the active site of the fluorinated 1-N-arylamino-1-arylmethanephosphonic acid esters was developed, explaining the inhibitory power. The strongest inhibition effects were found for the 1-(N-4-trifluoromethoxyphenyl)-amino-l-phenylmethanephosphonie acid diethyl ester lbab.