147
Views
28
CrossRef citations to date
0
Altmetric
Original Articles

Structure-Based Methods for the Prediction of the Dominant P450 Enzyme in Human Drug Biotransformation: Consideration of CYP3A4, CYP2C9, CYP2D6

Pages 43-61 | Received 13 May 2004, Accepted 06 Sep 2004, Published online: 01 Feb 2007

References

References

  • Ekins , S and Wrighton , SA . 2001 . Application of in silico approaches to predict drug–drug interactions . J. Pharmacol. Toxicol. Methods , 45 : 65 – 69 .
  • Hardman JG Goodman AG Limbird LE 2001 Goodman and Gilman's the Pharmacological Basis of Therapeutics, McGraw-Hill New York 1924 2023
  • Guengerich , FP . 1991 . Oxidation of toxic and carcinogenic chemicals by human cytochrome-P-450 enzymes . Chem. Res. Toxicol. , 4 : 391 – 407 .
  • Bertz , RJ and Granneman , GR . 1997 . Use of in vitro in vivo data to estimate the likelihood of metabolic pharmacokinetic interactions . J. Clin. Pharmacokinetics , 32 : 210 – 258 .
  • Anzenbacher , P and Anzenbacherova , E . 2001 . Cytochromes P450 and metabolism of xenobiotics . Cell. Mol. Life Sci. , 58 : 737 – 747 .
  • Danielson , PB . 2002 . The Cytochrome P450 superfamily: biochemistry, evolution and drug metabolism in humans . Curr. Drug Metab. , 3 : 561 – 597 .
  • Lewis , DFV . 2000 . On the recognition of mammalian microsomal cytochrome P450 substrates and their characteristics . Biochem. Pharmacol. , 60 : 293 – 306 .
  • Lewis , DFV and Dickins , M . 2002 . Substrate SARs in human P450s . Drug Disc. Today , 7 : 918 – 925 .
  • Fuhr , U . 1996 . Systematic screening for pharmacokinetic interactions during drug development . Int. J. Clin. Pharmacol. Ther. , 34 : 139 – 151 .
  • Michalets EL et al. 1998 Update: clinical significant cytochrome P-450 drug interactions Pharmacotherapy 18 84 112
  • Tredger , JM and Stoll , S . 2002 . Cytochromes P450–Their impact on drug treatment . Hosp. Pharmacist , 9 : 167 – 173 .
  • Raevsky OA 1997 Hydrogen-bond strength estimation by means of the HYBOT program package van de Waterbeemd H Testa B Folkers G Computer-Assisted Lead Finding and Optimisation, Wiley-VCH Basel 367 378
  • Hardman JG Goodman AG Limbird LE 1996 Goodman and Gilman's the Pharmacological Basis of Therapeutics, McGraw-Hill New York 1710 1792
  • Jones , BC , Hawksworth , G , Horne , VA , Newlands , A , Morsman , J , Tute , MS and Smith , DA . 1996 . Putative active site template model for cytochrome P450 CYP2C9 . Drug Metab. Dispos. , 24 : 260 – 266 .
  • Mancy , A , Broto , P , Dijols , S , Dansette , PM and Mansuy , D . 1995 . The substrate binding site of human liver CYP450 CYP2C9: an approach using designed tienilic acid derivatives and molecular modelling . Biochemistry , 34 : 10365 – 10375 .
  • De Groot , MJ and Ekins , S . 2002 . Pharmacophore modelling of cytochrome P450 . Adv. Drug Delivery Rev. , 54 : 367 – 383 .
  • Shen , M , Xiao , Y , Golbraikh , A , Gombar , VK and Tropsha , A . 2003 . Development and validation of k-nearest neighbor QSPR models of metabolic stability of drug candidates . J. Med. Chem. , 46 : 3013 – 3020 .
  • Smith , DA , Ackland , BJ and Jones , BC . 1997 . Properties of cytochrome P450 isoenzymes and their substrates. Part 2: properties of cytochrome P450 substrates . Drug Disc. Today , 2 : 479 – 486 .
  • Susnow , R and Dixon , SL . 2003 . Use of robust classification techniques for the prediction of human cytochrome P4502D6 inhibition . J. Chem. Inf. Comput. Sci. , 43 : 1308 – 1315 .

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.