Table of Contents Author Guidelines Submit a Manuscript
TheScientificWorldJOURNAL
Volume 2 (2002), Pages 1654-1660
http://dx.doi.org/10.1100/tsw.2002.343
Research Article

Molecular Binding Interactions: Their Estimation and Rationalization in QSARs in Terms of Theoretically Derived Parameters

1Molecular Toxicology Group, School of Biomedical and Life Sciences, University of Surrey, Guildford, Surrey, GU2 7XH, UK
2Lilly S.A., Avda de la Industria 30, 28108 Alcobendas, Madrid, Spain

Received 13 February 2002; Revised 11 April 2002; Accepted 17 April 2002

Copyright © 2002 David F.V. Lewis and Howard B. Broughton.

Citations to this Article [7 citations]

The following is the list of published articles that have cited the current article.

  • David F. V. Lewis, and Maruice Dickins, “Baseline lipophilicity relationships in human cytochromes P450 associated with drug metabolism,” Drug Metabolism Reviews, vol. 35, no. 1, pp. 1–18, 2003. View at Publisher · View at Google Scholar
  • David F. V. Lewis, “Quantitative structure-activity relationships (QSARs) within the cytochrome P450 system: QSARs describing substrate binding, inhibition and induction of P450s,” Inflammopharmacology, vol. 11, no. 1, pp. 43–73, 2003. View at Publisher · View at Google Scholar
  • David F.V. Lewis, Miriam N. Jacobs, and Maurice Dickins, “Compound lipophilicity for substrate binding to human P450s in drug metabolism,” Drug Discovery Today, vol. 9, no. 12, pp. 530–537, 2004. View at Publisher · View at Google Scholar
  • David F.V. Lewis, “Quantitative structure-activity relationships (QSARs) for substrates of human cytochromes P450 CYP2 family enzymes,” Toxicology in Vitro, vol. 18, no. 1, pp. 89–97, 2004. View at Publisher · View at Google Scholar
  • David F.V. Lewis, Yuko Ito, and Peter S. Goldfarb, “Enzyme-substrate binding interaction energies and their application to the cytochrome P450 system,” Current Computer-Aided Drug Design, vol. 4, no. 2, pp. 111–122, 2008. View at Publisher · View at Google Scholar
  • D.F.V. Lewis, and Y. Ito, “Human P450s involved in drug metabolism and the use of structural modelling for understanding substrate selectivity and binding affinity,” Xenobiotica, vol. 39, no. 8, pp. 625–635, 2009. View at Publisher · View at Google Scholar
  • Jayalakshmi Sridhar, Jiawang Liu, Maryam Foroozesh, and Cheryl L. Klein Stevens, “Insights on cytochrome P450 enzymes and inhibitors obtained through QSAR studies,” Molecules, vol. 17, no. 8, pp. 9283–9305, 2012. View at Publisher · View at Google Scholar