Publication Cover
Xenobiotica
the fate of foreign compounds in biological systems
Volume 25, 1995 - Issue 12
29
Views
19
CrossRef citations to date
0
Altmetric
Research Article

Prediction of urinary sulphate and glucuronide conjugate excretion for substituted phenols in the rat using quantitative structure-metabolism relationships

, , , , , , & show all
Pages 1269-1281 | Received 02 Jun 1995, Published online: 22 Sep 2008

References

  • Bartlett M. S. The use of transformations. Biometrics 1947; 87: 39–52
  • Darvas F. Predicting metabolic pathways by logic programming. Journal of Molecular Graphics 1988; 6: 80–85
  • Fukui K. J., Yonezawa T., Nagata C. Theory of substitution in conjugated molecules. Bulletin of the Chemical Society of Japan 1954; 27: 423–427
  • Geladi P., Kowalski B. R. Partial least-squares regression: a tutorial. Analytica Chimica Acta 1986; 185: 1–17
  • Ghauri F. Y. K., Blackledge C. A., Glen R. C., Sweatman B. C., Lindon J. C., Beddell C. R., Wilson I. D., Nicholson J. K. Quantitative structure-metabolism relationships for substituted benzoic acids in the rat. Biochemical Pharmacology 1992; 44: 1935–1946
  • Glen R. C., Rose V. S. Computer program suite for the calculation, storage and manipulation of molecular property and activity descriptors. Journal of Molecular Graphics 1987; 5: 79–86
  • Hansch C., Maloney P. P., Fujita T. Correlation of biological activity of phenoxyacetic acids with Hammett substituted constants and partition coefficients. Nature 1964; 194: 178–180
  • Livingstone D. J. Quantitative structure—activity relationships. Similarity Models in Organic Chemistry, Biochemistry and Related Fields, R. I. Zalewski, T. M. Krygowski, J. Shorter. Elsevier, Amsterdam 1991; 557
  • Magdalou J., Hochman Y., Zakim D. Factors modulating the catalytic specificity of a pure form of UDP-glucuronyltransferase. Journal of Biological Chemistry 1982; 257: 13624–13629
  • Meerman J. H., Nijland C., Mulder G. J. Sex differences in sulfation and glucuronidation of phenol, 4-nitrophenol and N-hydroxy-2-acetylaminofluorene in the rat. in vivo. Biochemical Pharmacology 1987; 36: 2605–2608
  • Sulfation of Drugs and Related Compounds, G. J. Mulder. CRC Press, Boca Raton 1981; 213
  • Mulder G. J., Scholtens E. Phenol, sulphur transferase and uridine diphosphate glucuronyl transferase from rat liver in vivo and in vitro. Biochemical Journal 1977; 165: 553–559
  • Pacifici G. M., Vannucci L., Bencini C., Tusini G., Mosca F. Sulphation of hydroxybiphenyls in human tissues. Xenobiotica 1991; 21: 1113–1118
  • Peelen S., Rietjens I. M., van Berkel W. J., van Workum W. A., Vervoort J. 19F-NMR study on the pH-dependent regioselectivity and rate of the ortho-hydroxylation of 3-fluorophenol by hydroxylase from Trichosporon cutaneum. European Journal of Biochemistry 1993; 218: 345–353
  • Powell G. M., Olvasn A. H. The fate of sulfate esters in vivo, Sulfation of Drugs and Related Compounds, G. J. Mulder. CRC Press, Boca Raton 1981, ch. 7
  • Rietjens I. M., Soffers A. E., Veeger C., Vervoort J. Regioselectivity of cytochrome P-450 catalyzed hydroxylation of fluorobenzenes predicted by calculated frontier orbital substrate characteristics. Biochemistry 1993; 32: 4801–4812
  • Seal H. Multivariate Statistical Analysis for Biologists. Methuen, London 1968
  • Temellini A., Franchi M., Giuliani L., Pacifici G. M. Human liver sulphotransferase and UDP-glucuronosyltransferase: structure-activity relationship for phenolic substrates. Xenobiotica 1991; 21: 171–177
  • Varmuza K. Pattern Recognition in Chemistry. Springer, New York 1980
  • Weast R. C. CRC Handbook of Chemistry and Physics. 1978; F91–125

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.