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Journal Abstract Search

233 related items for PubMed ID: 22242930

  • 1. Substrate selectivity of drug-metabolizing cytochrome P450s predicted from crystal structures and in silico modeling.
    Dong D, Wu B.
    Drug Metab Rev; 2012 Feb; 44(1):1-17. PubMed ID: 22242930
    [Abstract] [Full Text] [Related]

  • 2. Substrate selectivity of drug-metabolizing cytochrome P450s predicted from crystal structures and in silico modeling.
    Dong D, Wu B, Chow D, Hu M.
    Drug Metab Rev; 2012 May; 44(2):192-208. PubMed ID: 22251142
    [Abstract] [Full Text] [Related]

  • 3. Human P450s involved in drug metabolism and the use of structural modelling for understanding substrate selectivity and binding affinity.
    Lewis DF, Ito Y.
    Xenobiotica; 2009 Aug; 39(8):625-35. PubMed ID: 19514836
    [Abstract] [Full Text] [Related]

  • 4. Designing better drugs: predicting cytochrome P450 metabolism.
    de Groot MJ.
    Drug Discov Today; 2006 Jul; 11(13-14):601-6. PubMed ID: 16793528
    [Abstract] [Full Text] [Related]

  • 5. Human CYPs involved in drug metabolism: structures, substrates and binding affinities.
    Lewis DF, Ito Y.
    Expert Opin Drug Metab Toxicol; 2010 Jun; 6(6):661-74. PubMed ID: 20402561
    [Abstract] [Full Text] [Related]

  • 6. A three-dimensional protein model for human cytochrome P450 2D6 based on the crystal structures of P450 101, P450 102, and P450 108.
    de Groot MJ, Vermeulen NP, Kramer JD, van Acker FA, Donné-Op den Kelder GM.
    Chem Res Toxicol; 1996 Jun; 9(7):1079-91. PubMed ID: 8902262
    [Abstract] [Full Text] [Related]

  • 7. Conformational diversity and ligand tunnels of mammalian cytochrome P450s.
    Yu X, Cojocaru V, Wade RC.
    Biotechnol Appl Biochem; 2013 Jun; 60(1):134-45. PubMed ID: 23587001
    [Abstract] [Full Text] [Related]

  • 8. Polymorphism of human cytochrome P450 enzymes and its clinical impact.
    Zhou SF, Liu JP, Chowbay B.
    Drug Metab Rev; 2009 Jun; 41(2):89-295. PubMed ID: 19514967
    [Abstract] [Full Text] [Related]

  • 9. Class-dependent sequence alignment strategy improves the structural and functional modeling of P450s.
    Baudry J, Rupasinghe S, Schuler MA.
    Protein Eng Des Sel; 2006 Aug; 19(8):345-53. PubMed ID: 16777908
    [Abstract] [Full Text] [Related]

  • 10. Prediction of drug-like molecular properties: modeling cytochrome p450 interactions.
    Jalaie M, Arimoto R, Gifford E, Schefzick S, Waller CL.
    Methods Mol Biol; 2004 Aug; 275():449-520. PubMed ID: 15141126
    [Abstract] [Full Text] [Related]

  • 11. Compound lipophilicity for substrate binding to human P450s in drug metabolism.
    Lewis DF, Jacobs MN, Dickins M.
    Drug Discov Today; 2004 Jun 15; 9(12):530-7. PubMed ID: 15183161
    [Abstract] [Full Text] [Related]

  • 12. Structural modelling of the human drug-metabolizing cytochromes P450.
    Lewis DF, Ito Y, Goldfarb PS.
    Curr Med Chem; 2006 Jun 15; 13(22):2645-52. PubMed ID: 17017916
    [Abstract] [Full Text] [Related]

  • 13. Structural determination of the substrate specificities and regioselectivities of the rat and human fatty acid omega-hydroxylases.
    Hoch U, Zhang Z, Kroetz DL, Ortiz de Montellano PR.
    Arch Biochem Biophys; 2000 Jan 01; 373(1):63-71. PubMed ID: 10620324
    [Abstract] [Full Text] [Related]

  • 14. Cytochrome P450 networks in chemical space.
    Lee S, Kim D.
    Arch Pharm Res; 2010 Sep 01; 33(9):1361-74. PubMed ID: 20945135
    [Abstract] [Full Text] [Related]

  • 15. In silico site of metabolism prediction of cytochrome P450-mediated biotransformations.
    Tarcsay Á, Keseru GM.
    Expert Opin Drug Metab Toxicol; 2011 Mar 01; 7(3):299-312. PubMed ID: 21291341
    [Abstract] [Full Text] [Related]

  • 16. 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]

  • 17. Crystal structures of mammalian glutamine synthetases illustrate substrate-induced conformational changes and provide opportunities for drug and herbicide design.
    Krajewski WW, Collins R, Holmberg-Schiavone L, Jones TA, Karlberg T, Mowbray SL.
    J Mol Biol; 2008 Jan 04; 375(1):217-28. PubMed ID: 18005987
    [Abstract] [Full Text] [Related]

  • 18. Cytochrome P450 structure-function: insights from molecular dynamics simulations.
    Nair PC, McKinnon RA, Miners JO.
    Drug Metab Rev; 2016 Aug 04; 48(3):434-52. PubMed ID: 27167388
    [Abstract] [Full Text] [Related]

  • 19. In silico methods for predicting ligand binding determinants of cytochromes P450.
    de Groot MJ, Kirton SB, Sutcliffe MJ.
    Curr Top Med Chem; 2004 Aug 04; 4(16):1803-24. PubMed ID: 15579109
    [Abstract] [Full Text] [Related]

  • 20. Structural rationalization of novel drug metabolizing mutants of cytochrome P450 BM3.
    Stjernschantz E, van Vugt-Lussenburg BM, Bonifacio A, de Beer SB, van der Zwan G, Gooijer C, Commandeur JN, Vermeulen NP, Oostenbrink C.
    Proteins; 2008 Apr 04; 71(1):336-52. PubMed ID: 17957765
    [Abstract] [Full Text] [Related]

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