-
1
-
-
0030581288
-
A validation study of the COMPACT and Hazard expert techniques with 40 chemicals
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D. F. V. Lewis, and G. R. Langley, A validation study of the COMPACT and Hazard expert techniques with 40 chemicals, Mutat. Res., 469, 157-174 (1996).
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Mutat. Res.
, vol.469
, pp. 157-174
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-
Lewis, D.F.V.1
Langley, G.R.2
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3
-
-
0029513105
-
COMPACT and the importance of frontier orbitals in toxicity mediated by the cytochrome P450 mono-oxygenase system
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D. F. V. Lewis, COMPACT and the importance of frontier orbitals in toxicity mediated by the cytochrome P450 mono-oxygenase system, Toxicol. Model., 1., 85-97 (1995).
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(1995)
Toxicol. Model.
, vol.1
, pp. 85-97
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-
Lewis, D.F.V.1
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4
-
-
0028352196
-
Molecular modelling of enzymes and receptors involved in carcinogenesis: QSARs and COMPACT-3D
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D. F. V. Lewis, H. Moereels, B. G. Lake, C. Ioannides, and D. V. Parke, Molecular modelling of enzymes and receptors involved in carcinogenesis: QSARs and COMPACT-3D, Drug Metab. Rev., 26, 261-285 (1994).
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Drug Metab. Rev.
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Lewis, D.F.V.1
Moereels, H.2
Lake, B.G.3
Ioannides, C.4
Parke, D.V.5
-
5
-
-
0028198736
-
Molecular modelling of cytochrome P4501: A putative access channel explains differences in induction potency between the isomers benzo(a)pyrene and benzo(e)pyrene and 2- and 4-acetylaminofluorene
-
D. F. V. Lewis, C. Ioannides, and D. V. Parke, Molecular modelling of cytochrome P4501: A putative access channel explains differences in induction potency between the isomers benzo(a)pyrene and benzo(e)pyrene and 2- and 4-acetylaminofluorene, Toxicol. Lett., 71, 235-243 (1994).
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(1994)
Toxicol. Lett.
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Lewis, D.F.V.1
Ioannides, C.2
Parke, D.V.3
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6
-
-
0027180260
-
Importance of cytochrome P450 induction in chemical carcinogenesis: The case for 2- and 4-acetylaminofluorene
-
C. Ioannides, Y.-L. Cheung, J. P. Wilson, D. F. V. Lewis, and T. J. B. Gray, Importance of cytochrome P450 induction in chemical carcinogenesis: The case for 2- and 4-acetylaminofluorene, Chem. Res. Toxicol., 6, 535-541 (1993).
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(1993)
Chem. Res. Toxicol.
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, pp. 535-541
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Ioannides, C.1
Cheung, Y.-L.2
Wilson, J.P.3
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Gray, T.J.B.5
-
7
-
-
0028897335
-
CYP1 induction, binding to the hepatic aromatic hydrocarbon receptor and mutagenicity of a series of 11-alkoxy cyclopenta[a]phenanthren-17-ones: A structure activity relationship
-
G. W. Boyd, M. M. Coombs, and C. Ioannides, CYP1 induction, binding to the hepatic aromatic hydrocarbon receptor and mutagenicity of a series of 11-alkoxy cyclopenta[a]phenanthren-17-ones: A structure activity relationship, Toxicology, 95, 27-35 (1995).
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(1995)
Toxicology
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-
Boyd, G.W.1
Coombs, M.M.2
Ioannides, C.3
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8
-
-
0030873260
-
Quantitative structure-activity relationships in substrates, inducers and inhibitors of cytochromes P4501 (CYP1)
-
D. F. V. Lewis, Quantitative structure-activity relationships in substrates, inducers and inhibitors of cytochromes P4501 (CYP1), Drug Metab. Rev., 29, 589-650 (1997).
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(1997)
Drug Metab. Rev.
, vol.29
, pp. 589-650
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-
Lewis, D.F.V.1
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10
-
-
0030963222
-
Molecular modelling of CYP2B isoforms and their interaction with substrates, inhibitors and redox components
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D. F. V. Lewis and B. G. Lake, Molecular modelling of CYP2B isoforms and their interaction with substrates, inhibitors and redox components, Xenobiotica, 27, 443-478 (1997).
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(1997)
Xenobiotica
, vol.27
, pp. 443-478
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-
Lewis, D.F.V.1
Lake, B.G.2
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11
-
-
84951790316
-
Molecular modelling of cytochromes P450
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(H. van de Waterbeemd, B. Testa, and G. Folkers, eds.), Verlag Helvetica Acta, Basel, Chap. 21
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D. F. V. Lewis, Molecular modelling of cytochromes P450, in Computer-Assisted Lead Finding and Optimization (H. van de Waterbeemd, B. Testa, and G. Folkers, eds.), Verlag Helvetica Acta, Basel, 1997, Chap. 21, pp. 333-354.
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(1997)
Computer-Assisted Lead Finding and Optimization
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-
-
Lewis, D.F.V.1
-
12
-
-
0029162208
-
Quantitative structure-activity relationships in some cooked food mutagens
-
D. F. V. Lewis, C. Ioannides, D. V. Parke, and R. Walker, Quantitative structure-activity relationships in some cooked food mutagens. Food Addit. Contam., 12, 715-724 (1995).
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(1995)
Food Addit. Contam.
, vol.12
, pp. 715-724
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-
Lewis, D.F.V.1
Ioannides, C.2
Parke, D.V.3
Walker, R.4
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13
-
-
0028969933
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The genotoxicity of benzanthracenes: A quantitative structure-activity study
-
D. F. V. Lewis and D. V. Parke, The genotoxicity of benzanthracenes: A quantitative structure-activity study, Mutat. Res., 328, 207-214 (1995).
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(1995)
Mutat. Res.
, vol.328
, pp. 207-214
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-
Lewis, D.F.V.1
Parke, D.V.2
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14
-
-
0027992619
-
Inhibition of hepatic aryl hydrocarbon hydroxylase activity by a series of 7-hydroxy coumarins: QSAR studies
-
D. F. V. Lewis, B. G. Lake, C. Ioannides, and D. V. Parke, Inhibition of hepatic aryl hydrocarbon hydroxylase activity by a series of 7-hydroxy coumarins: QSAR studies, Xenobiotica, 24, 829-838 (1994).
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(1994)
Xenobiotica
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, pp. 829-838
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Lewis, D.F.V.1
Lake, B.G.2
Ioannides, C.3
Parke, D.V.4
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15
-
-
0029589468
-
Molecular orbital-generated QSARs in a homologous series of alkoyresorufins and studies of their interactive docking with P450s
-
D. F. V. Lewis, B. G. Lake, and D. V. Parke, Molecular orbital-generated QSARs in a homologous series of alkoyresorufins and studies of their interactive docking with P450s, Xenobiotica, 25, 1355-1369 (1995).
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(1995)
Xenobiotica
, vol.25
, pp. 1355-1369
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-
Lewis, D.F.V.1
Lake, B.G.2
Parke, D.V.3
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16
-
-
0029120886
-
A quantitative structure-activity relationship study on a series of 10 para-substituted toluenes binding to cytochrome P4502B4 (CYP2B4) and also their hydroxylation rates
-
D. F. V. Lewis, C. Ioannides, and D. V. Parke, A quantitative structure-activity relationship study on a series of 10 para-substituted toluenes binding to cytochrome P4502B4 (CYP2B4) and also their hydroxylation rates, Biochem. Pharmacol., 50, 619-625 (1995).
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(1995)
Biochem. Pharmacol.
, vol.50
, pp. 619-625
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-
Lewis, D.F.V.1
Ioannides, C.2
Parke, D.V.3
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17
-
-
0028274966
-
Interaction of a series of nitriles with the alcohol inducible isoform of cytochrome P450: Computer analysis of structure-activity relationships
-
D. F. V. Lewis, C. Ioannides, and D. V. Parke, Interaction of a series of nitriles with the alcohol inducible isoform of cytochrome P450: Computer analysis of structure-activity relationships, Xenobiotica, 24, 401-408 (1994).
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(1994)
Xenobiotica
, vol.24
, pp. 401-408
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-
Lewis, D.F.V.1
Ioannides, C.2
Parke, D.V.3
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18
-
-
0028923838
-
Computer graphics analysis of the interaction of alkoxy methylene dioxybenzenes with cytochromes P4501
-
D. F. V. Lewis, C. Ioannides, and D. V. Parke, Computer graphics analysis of the interaction of alkoxy methylene dioxybenzenes with cytochromes P4501, Toxicol. Lett., 76, 39-45 (1995).
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(1995)
Toxicol. Lett.
, vol.76
, pp. 39-45
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-
Lewis, D.F.V.1
Ioannides, C.2
Parke, D.V.3
-
19
-
-
0005964210
-
Molecular modelling
-
(D. R. Tennant, ed.), Chapman & Hall, London, Chap. 7
-
D. F. V. Lewis, Molecular modelling, in Food Chemical Risk Analysis (D. R. Tennant, ed.), Chapman & Hall, London, Chap. 7, pp. 163-194, 1997.
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(1997)
Food Chemical Risk Analysis
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Lewis, D.F.V.1
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20
-
-
0028988098
-
A retrospective evaluation of COMPACT predictions of rodent carcinogenicity testing from the NTP rodent bioassay results of 40 chemicals
-
D. F. V. Lewis, C. Ioannides, and D. V. Parke, A retrospective evaluation of COMPACT predictions of rodent carcinogenicity testing from the NTP rodent bioassay results of 40 chemicals, Environ. Health Perspect., 103, 178-184 (1995).
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(1995)
Environ. Health Perspect.
, vol.103
, pp. 178-184
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-
Lewis, D.F.V.1
Ioannides, C.2
Parke, D.V.3
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21
-
-
0031588947
-
Molecular modelling of P, CYP2E1 enzymes from rat, mouse and man: A possible explanation for the species differences in butadiene metabolism
-
D. F. V. Lewis, M. G. Bird, and D. V. Parke, Molecular modelling of P, CYP2E1 enzymes from rat, mouse and man: A possible explanation for the species differences in butadiene metabolism, Toxicology, 118, 93-113 (1997).
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(1997)
Toxicology
, vol.118
, pp. 93-113
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-
Lewis, D.F.V.1
Bird, M.G.2
Parke, D.V.3
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22
-
-
0027464232
-
Validation of a novel molecular orbital approach (COMPACT) to the safety evaluation of chemicals by comparison with salmonella mutagenicity and rodent carcinogenicity data evaluated by the US NCI/NTP
-
D. F. V. Lewis, C. Ioannides, and D. V. Parke, Validation of a novel molecular orbital approach (COMPACT) to the safety evaluation of chemicals by comparison with salmonella mutagenicity and rodent carcinogenicity data evaluated by the US NCI/NTP, Mutat. Res., 291, 61-77 (1993).
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Mutat. Res.
, vol.291
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Lewis, D.F.V.1
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23
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0028559501
-
Comparison between rodent carcinogenicity test results of 44 chemicals and a number of predictive systems
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D. F. V. Lewis, Comparison between rodent carcinogenicity test results of 44 chemicals and a number of predictive systems, Regul. Toxicol. Pharmacol., 20, 215-222 (1994).
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Regul. Toxicol. Pharmacol.
, vol.20
, pp. 215-222
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Lewis, D.F.V.1
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24
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-
0028190360
-
A comparison between COMPACT and HazardExpert evaluations for 80 chemicals tested by the NTP/ NCI rodent bioassay
-
S. J. Brown, A. A. Raja, and D. F. V. Lewis, A comparison between COMPACT and HazardExpert evaluations for 80 chemicals tested by the NTP/ NCI rodent bioassay, ATLA, 22, 482-500 (1994).
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ATLA
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, pp. 482-500
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Brown, S.J.1
Raja, A.A.2
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25
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0028906076
-
Improved prediction of carcinogenic potencies from mutagenic potencies for chemicals positive in rodents and the Ames test
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K. T. Bogen, Improved prediction of carcinogenic potencies from mutagenic potencies for chemicals positive in rodents and the Ames test, Environ. Molec. Mutagen., 25, 37-49 (1995).
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Bogen, K.T.1
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26
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0027477823
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The interaction of some peroxisome proliferators with the mouse liver peroxisome proliferator-activated receptor (ppar): A molecular modelling and quantitative structure-activity relationship study
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D. F. V. Lewis and B. G. Lake, The interaction of some peroxisome proliferators with the mouse liver peroxisome proliferator-activated receptor (ppar): A molecular modelling and quantitative structure-activity relationship study, Xenobiotica, 23, 79-96 (1993).
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(1993)
Xenobiotica
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27
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0031007699
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A quantitative structure-activity relationship (QSAR) analysis for a series of rodent peroxisome proliferators: Interaction with the mouse liver peroxisome proliferator-activated receptor α (mPPARα)
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D. F. V. Lewis and B. G. Lake, A quantitative structure-activity relationship (QSAR) analysis for a series of rodent peroxisome proliferators: Interaction with the mouse liver peroxisome proliferator-activated receptor α (mPPARα), Toxicol. in Vitro, 11, 99-105 (1997).
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Toxicol. in Vitro
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28
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0028843084
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Interactions based on molecular modelling of the human estrogen receptor and ligand site-directed mutagenesis and amino acid sequence homology
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D. F. V. Lewis, M. G. Parker, and R. J. B. King, Interactions based on molecular modelling of the human estrogen receptor and ligand site-directed mutagenesis and amino acid sequence homology, J. Steroid Biochem. Molec. Biol., 25, 55-65 (1995).
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Lewis, D.F.V.1
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29
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0029018087
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Three-dimensional models of human and other mammalian P450s constructed from an alignment with P450102 (P450bm3)
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D. F. V. Lewis, Three-dimensional models of human and other mammalian P450s constructed from an alignment with P450102 (P450bm3), Xenobiotica, 25, 333-366 (1995).
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Lewis, D.F.V.1
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0029088125
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Molecular modelling of members of the P4502A subfamily: Application to studies of enzyme specificity
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D. F. V. Lewis and B. G. Lake, Molecular modelling of members of the P4502A subfamily: Application to studies of enzyme specificity, Xenobiotica, 25, 585-598 (1995).
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Xenobiotica
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31
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0030036211
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Molecular modelling of CYP1A subfamily members based on an alignment with CYP102: Rationalization of CYP1A substrate specificity in terms of active site amino acid residues
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D. F. V. Lewis and B. G. Lake, Molecular modelling of CYP1A subfamily members based on an alignment with CYP102: Rationalization of CYP1A substrate specificity in terms of active site amino acid residues, Xenobiotica, 26, 723-753 (1996).
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Xenobiotica
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32
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0029805701
-
Molecular modelling of CYP3A4 from an alignment with CYP102: Identification of key interactions between putative active site residues and CYP3A-specific chemicals
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D. F. V. Lewis, P. J. Eddershaw, P. S. Goldfarb, and M. H. Tarbit, Molecular modelling of CYP3A4 from an alignment with CYP102: Identification of key interactions between putative active site residues and CYP3A-specific chemicals, Xenobiotica, 26, 1067-1086 (1996).
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Goldfarb, P.S.3
Tarbit, M.H.4
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33
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0029935962
-
The metabolism of tamoxifen by human cytochromes P450 is rationalized by molecular modelling of the enzyme-substrate interactions: Potential importance to its proposed anticarcinogenic/carcinogenic actions
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H. Wiseman and D. F. V. Lewis, The metabolism of tamoxifen by human cytochromes P450 is rationalized by molecular modelling of the enzyme-substrate interactions: Potential importance to its proposed anticarcinogenic/carcinogenic actions, Carcinogenesis, 17, 1357-1360 (1996).
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Carcinogenesis
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Induction of cytochrome P4501 as an indicator of potential chemical carcinogenesis
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0032536171
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Molecular modelling of omeprazole interactions with cytochrome P450 isozymes is consistent with metabolism in human liver microsomes
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D. F. V. Lewis and B. G. Lake, Molecular modelling of omeprazole interactions with cytochrome P450 isozymes is consistent with metabolism in human liver microsomes, Toxicology, 125, 31-44 (1998).
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Identification of human liver cytochrome P450 isoforms mediating omeprazole metabolism
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T. Andersson, J. O. Miners, W. Tassaneeyakul, W. Tassaneeyakul, U. A. Meyer, and D. J. Birkett, Identification of human liver cytochrome P450 isoforms mediating omeprazole metabolism, Br. J. Clin. Pharmacol., 36, 521-530 (1993).
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Defining the active site of cytochrome P450: The crystal and molecular structure of an inhibitor, SKF-525A
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Binding characteristics of 4-S proteins from rat and mouse liver
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The Ah receptor and the mechanism of dioxin toxicity
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Quantitative structure-activity relationships in a series of alcohols exhibiting inhibition of cytochrome P450 mediated aniline hydroxylation
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84988112502
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The calculation of molar polarizabilities by the CNDO/2 method: Correlation with the hydrophobic parameter, log P
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Automatic log P estimation based on combined additive modeling methods
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On the reliability of calculated log P values: Rekker, Hansch/Leo and Suzuki approach
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|