Application of in silico approaches to predicting drug--drug interactions.
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[1] C. Hansch,et al. Structure--activity correlations in the metabolism of drugs. , 1968, Archives of biochemistry and biophysics.
[2] C. Hansch. Quantitative Relationships Between Lipophilic Character and Drug Metabolism , 1972 .
[3] S. Wrighton,et al. The human hepatic cytochromes P450 involved in drug metabolism. , 1992, Critical reviews in toxicology.
[4] D A Smith,et al. Speculations on the substrate structure-activity relationship (SSAR) of cytochrome P450 enzymes. , 1992, Biochemical pharmacology.
[5] C. Hansch,et al. Quantitative structure-activity relationships of cytochrome P-450. , 1993, Drug metabolism reviews.
[6] F. Guengerich,et al. Development of a pharmacophore for inhibition of human liver cytochrome P-450 2D6: molecular modeling and inhibition studies. , 1993, Journal of medicinal chemistry.
[7] F. Sanz,et al. Quinolone antibacterial agents: relationship between structure and in vitro inhibition of the human cytochrome P450 isoform CYP1A2. , 1993, Molecular pharmacology.
[8] K. Korzekwa,et al. Predicting the cytochrome P450 mediated metabolism of xenobiotics. , 1993, Pharmacogenetics.
[9] D. Mansuy,et al. The substrate binding site of human liver cytochrome P450 2C9: an approach using designed tienilic acid derivatives and molecular modeling. , 1995, Biochemistry.
[10] Antti Poso,et al. Comparative Molecular Field Analysis of Compounds with CYP2A5 Binding Affinity , 1995 .
[11] C. Hansch,et al. QSAR of P450 oxidation: on the value of comparing kcat and km with kcat/km. , 1996, Drug metabolism reviews.
[12] B G Woodcock,et al. Systematic screening for pharmacokinetic interactions during drug development. , 1996, International journal of clinical pharmacology and therapeutics.
[13] D A Smith,et al. Putative active site template model for cytochrome P4502C9 (tolbutamide hydroxylase). , 1996, Drug metabolism and disposition: the biological fate of chemicals.
[14] Jeffrey P. Jones,et al. Three-dimensional quantitative structure-activity relationship for inhibitors of cytochrome P4502C9. , 1996, Drug metabolism and disposition: the biological fate of chemicals.
[15] C. Waller,et al. Modeling the cytochrome P450-mediated metabolism of chlorinated volatile organic compounds. , 1996, Drug metabolism and disposition: the biological fate of chemicals.
[16] Dietrich Dörner,et al. The Logic Of Failure: Recognizing And Avoiding Error In Complex Situations , 1997 .
[17] D. Lewis,et al. Quantitative structure-activity relationships in substrates, inducers, and inhibitors of cytochrome P4501 (CYP1). , 1997, Drug metabolism reviews.
[18] Barry C. Jones,et al. Properties of cytochrome P450 isoenzymes and their substrates Part 1: active site characteristics , 1997 .
[19] Dennis A. Smith,et al. Properties of cytochrome P450 isoenzymes and their substrates Part 2: properties of cytochrome P450 substrates , 1997 .
[20] J. Halpert,et al. Use of homology modeling in conjunction with site-directed mutagenesis for analysis of structure-function relationships of mammalian cytochromes P450. , 1997, Life sciences.
[21] J. Halpert,et al. Molecular basis of P450 inhibition and activation: implications for drug development and drug therapy. , 1998, Drug metabolism and disposition: the biological fate of chemicals.
[22] D. Lewis,et al. Molecular modelling and quantitative structure-activity relationship studies on the interaction of omeprazole with cytochrome P450 isozymes. , 1998, Toxicology.
[23] M H Tarbit,et al. Structural determinants of cytochrome P450 substrate specificity, binding affinity and catalytic rate. , 1998, Chemico-biological interactions.
[24] S. Ekins,et al. Three-dimensional quantitative structure activity relationship analyses of substrates for CYP2B6. , 1999, The Journal of pharmacology and experimental therapeutics.
[25] S. Ekins,et al. Three and four dimensional-quantitative structure activity relationship (3D/4D-QSAR) analyses of CYP2D6 inhibitors. , 1999, Pharmacogenetics.
[26] A. Alex,et al. Novel approach to predicting P450-mediated drug metabolism: development of a combined protein and pharmacophore model for CYP2D6. , 1999, Journal of medicinal chemistry.
[27] A. Alex,et al. A novel approach to predicting P450 mediated drug metabolism. CYP2D6 catalyzed N-dealkylation reactions and qualitative metabolite predictions using a combined protein and pharmacophore model for CYP2D6. , 1999, Journal of medicinal chemistry.
[28] S. Ekins,et al. Three-dimensional-quantitative structure activity relationship analysis of cytochrome P-450 3A4 substrates. , 1999, The Journal of pharmacology and experimental therapeutics.
[29] S. Ekins,et al. Three- and four-dimensional quantitative structure activity relationship analyses of cytochrome P-450 3A4 inhibitors. , 1999, The Journal of pharmacology and experimental therapeutics.
[30] D. Lewis,et al. On the recognition of mammalian microsomal cytochrome P450 substrates and their characteristics: towards the prediction of human p450 substrate specificity and metabolism. , 2000, Biochemical pharmacology.
[31] Osman F. Güner,et al. Pharmacophore perception, development, and use in drug design , 2000 .
[32] S. Ekins,et al. Progress in predicting human ADME parameters in silico. , 2000, Journal of pharmacological and toxicological methods.
[33] S. Ekins,et al. Present and future in vitro approaches for drug metabolism. , 2000, Journal of pharmacological and toxicological methods.
[34] Francesca Fanelli,et al. Theoretical investigation of substrate specificity for cytochromes P450 IA2, P450 IID6 and P450 IIIA4 , 2000, J. Comput. Aided Mol. Des..
[35] S. Ekins,et al. Three-dimensional quantitative structure activity relationship computational approaches for prediction of human in vitro intrinsic clearance. , 2000, The Journal of pharmacology and experimental therapeutics.
[36] G. Szklarz,et al. Molecular modeling of mammalian cytochromes P450: application to study enzyme function. , 2000, Vitamins and hormones.
[37] R. Obach,et al. Inhibition of human cytochrome P450 enzymes by constituents of St. John's Wort, an herbal preparation used in the treatment of depression. , 2000, The Journal of pharmacology and experimental therapeutics.
[38] Jeffrey P. Jones,et al. A refined 3-dimensional QSAR of cytochrome P450 2C9: computational predictions of drug interactions. , 2000, Journal of medicinal chemistry.
[39] S. Ekins,et al. Three- and four-dimensional-quantitative structure activity relationship (3D/4D-QSAR) analyses of CYP2C9 inhibitors. , 2000, Drug metabolism and disposition: the biological fate of chemicals.
[40] M. Pincus,et al. Molecular modeling of mammalian cytochrome P450s , 2000, Cellular and Molecular Life Sciences CMLS.
[41] D. Lewis,et al. Structural characteristics of human P450s involved in drug metabolism: QSARs and lipophilicity profiles. , 2000, Toxicology.