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Journal Abstract Search

121 related items for PubMed ID: 19852016

  • 1. Fast prediction of cytochrome P450 mediated drug metabolism.
    Rydberg P, Vasanthanathan P, Oostenbrink C, Olsen L.
    ChemMedChem; 2009 Dec; 4(12):2070-9. PubMed ID: 19852016
    [Abstract] [Full Text] [Related]

  • 2. Prediction of activation energies for aromatic oxidation by cytochrome P450.
    Rydberg P, Ryde U, Olsen L.
    J Phys Chem A; 2008 Dec 18; 112(50):13058-65. PubMed ID: 18986131
    [Abstract] [Full Text] [Related]

  • 3. Regioselectivity prediction of CYP1A2-mediated phase I metabolism.
    Jung J, Kim ND, Kim SY, Choi I, Cho KH, Oh WS, Kim DN, No KT.
    J Chem Inf Model; 2008 May 18; 48(5):1074-80. PubMed ID: 18412330
    [Abstract] [Full Text] [Related]

  • 4. CypScore: Quantitative prediction of reactivity toward cytochromes P450 based on semiempirical molecular orbital theory.
    Hennemann M, Friedl A, Lobell M, Keldenich J, Hillisch A, Clark T, Göller AH.
    ChemMedChem; 2009 Apr 18; 4(4):657-69. PubMed ID: 19243088
    [Abstract] [Full Text] [Related]

  • 5. Site of metabolism prediction for six biotransformations mediated by cytochromes P450.
    Zheng M, Luo X, Shen Q, Wang Y, Du Y, Zhu W, Jiang H.
    Bioinformatics; 2009 May 15; 25(10):1251-8. PubMed ID: 19286831
    [Abstract] [Full Text] [Related]

  • 6. A pragmatic approach using first-principle methods to address site of metabolism with implications for reactive metabolite formation.
    Hsiao YW, Petersson C, Svensson MA, Norinder U.
    J Chem Inf Model; 2012 Mar 26; 52(3):686-95. PubMed ID: 22299574
    [Abstract] [Full Text] [Related]

  • 7. 2D SMARTCyp reactivity-based site of metabolism prediction for major drug-metabolizing cytochrome P450 enzymes.
    Liu R, Liu J, Tawa G, Wallqvist A.
    J Chem Inf Model; 2012 Jun 25; 52(6):1698-712. PubMed ID: 22631565
    [Abstract] [Full Text] [Related]

  • 8. Classification of cytochrome P450 1A2 inhibitors and noninhibitors by machine learning techniques.
    Vasanthanathan P, Taboureau O, Oostenbrink C, Vermeulen NP, Olsen L, Jørgensen FS.
    Drug Metab Dispos; 2009 Mar 25; 37(3):658-64. PubMed ID: 19056915
    [Abstract] [Full Text] [Related]

  • 9. Computational prediction of binding affinity for CYP1A2-ligand complexes using empirical free energy calculations.
    Vasanthanathan P, Olsen L, Jørgensen FS, Vermeulen NP, Oostenbrink C.
    Drug Metab Dispos; 2010 Aug 25; 38(8):1347-54. PubMed ID: 20413725
    [Abstract] [Full Text] [Related]

  • 10. Rate-limiting steps in oxidations catalyzed by rabbit cytochrome P450 1A2.
    Guengerich FP, Krauser JA, Johnson WW.
    Biochemistry; 2004 Aug 24; 43(33):10775-88. PubMed ID: 15311939
    [Abstract] [Full Text] [Related]

  • 11. Kinetic deuterium isotope effects for 7-alkoxycoumarin O-dealkylation reactions catalyzed by human cytochromes P450 and in liver microsomes. Rate-limiting C-H bond breaking in cytochrome P450 1A2 substrate oxidation.
    Kim KH, Isin EM, Yun CH, Kim DH, Guengerich FP.
    FEBS J; 2006 May 24; 273(10):2223-31. PubMed ID: 16649998
    [Abstract] [Full Text] [Related]

  • 12.
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  • 13. SyGMa: combining expert knowledge and empirical scoring in the prediction of metabolites.
    Ridder L, Wagener M.
    ChemMedChem; 2008 May 24; 3(5):821-32. PubMed ID: 18311745
    [Abstract] [Full Text] [Related]

  • 14. Kinetic isotope effects implicate a single oxidant for cytochrome P450-mediated O-dealkylation, N-oxygenation, and aromatic hydroxylation of 6-methoxyquinoline.
    Dowers TS, Jones JP.
    Drug Metab Dispos; 2006 Aug 24; 34(8):1288-90. PubMed ID: 16714370
    [Abstract] [Full Text] [Related]

  • 15. Predicting activation enthalpies of cytochrome-P450-mediated hydrogen abstractions. 2. Comparison of semiempirical PM3, SAM1, and AM1 with a density functional theory method.
    Mayeno AN, Robinson JL, Yang RS, Reisfeld B.
    J Chem Inf Model; 2009 Jul 24; 49(7):1692-703. PubMed ID: 19522482
    [Abstract] [Full Text] [Related]

  • 16. Automated definition of the enzymology of drug oxidation by the major human drug metabolizing cytochrome P450s.
    McGinnity DF, Parker AJ, Soars M, Riley RJ.
    Drug Metab Dispos; 2000 Nov 24; 28(11):1327-34. PubMed ID: 11038161
    [Abstract] [Full Text] [Related]

  • 17. Oxidative metabolism of the alkaloid rutaecarpine by human cytochrome P450.
    Ueng YF, Don MJ, Jan WC, Wang SY, Ho LK, Chen CF.
    Drug Metab Dispos; 2006 May 24; 34(5):821-7. PubMed ID: 16501007
    [Abstract] [Full Text] [Related]

  • 18. Cytochrome P450-mediated metabolism of haloperidol and reduced haloperidol to pyridinium metabolites.
    Avent KM, DeVoss JJ, Gillam EM.
    Chem Res Toxicol; 2006 Jul 24; 19(7):914-20. PubMed ID: 16841959
    [Abstract] [Full Text] [Related]

  • 19. A novel model for the prediction of drug-drug interactions in humans based on in vitro cytochrome p450 phenotypic data.
    Lu C, Miwa GT, Prakash SR, Gan LS, Balani SK.
    Drug Metab Dispos; 2007 Jan 24; 35(1):79-85. PubMed ID: 17020957
    [Abstract] [Full Text] [Related]

  • 20. Autoactivation and activation of the cytochrome P450s.
    Ekins S, Ring BJ, Binkley SN, Hall SD, Wrighton SA.
    Int J Clin Pharmacol Ther; 1998 Dec 24; 36(12):642-51. PubMed ID: 9877001
    [Abstract] [Full Text] [Related]

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