-
1
-
-
9044254525
-
P450 superfamily: Update on new sequences, gene mapping, accession numbers and nomenclature
-
Nelson D.R., Koymans L., Kamataki T., Stegeman J.J., Feyereisen R., Waxman D.J., Waterman M.R., Gotoh O., Coon M.J., Estabrook R.W., Gunsalus I.C., Nebert D.W. P450 superfamily Update on new sequences, gene mapping, accession numbers and nomenclature . Pharmacogenetics. 6:1996;1-42.
-
(1996)
Pharmacogenetics
, vol.6
, pp. 1-42
-
-
Nelson, D.R.1
Koymans, L.2
Kamataki, T.3
Stegeman, J.J.4
Feyereisen, R.5
Waxman, D.J.6
Waterman, M.R.7
Gotoh, O.8
Coon, M.J.9
Estabrook, R.W.10
Gunsalus, I.C.11
Nebert, D.W.12
-
2
-
-
0025784027
-
Cytochrome P450: Multiplicity of isoforms, substrates and catalytic and regulatory mechanisms
-
Porter T.D., Coon M.J. Cytochrome P450 Multiplicity of isoforms, substrates and catalytic and regulatory mechanisms . J Biol Chem. 266:1991;13469-13472.
-
(1991)
J Biol Chem
, vol.266
, pp. 13469-13472
-
-
Porter, T.D.1
Coon, M.J.2
-
3
-
-
0342445121
-
Impact of the human genome project on drug metabolism and chemical toxicity
-
Guildford, April 19-22
-
Estabrook RW, Impact of the human genome project on drug metabolism and chemical toxicity. British Toxicology Society Meeting, Guildford, April 19-22, 1998.
-
(1998)
British Toxicology Society Meeting
-
-
Estabrook, R.W.1
-
4
-
-
0002804584
-
The CYP1 family
-
(Ed. Ioannides C), Chap. 4 CRC Press, Boca Raton
-
Kawajiri K and Hayashi S-I, The CYP1 family. In: Cytochromes P450: Metabolic and Toxicological Aspects (Ed. Ioannides C), Chap. 4, pp. 77-97. CRC Press, Boca Raton, 1996.
-
(1996)
In: Cytochromes P450: Metabolic and Toxicological Aspects
, pp. 77-97
-
-
Kawajiri, K.1
Hayashi, S.-I.2
-
5
-
-
0002077288
-
The CYP2E subfamily
-
(Ed. Ioannides C), Chap. 9 CRC Press, Boca Raton
-
Ronis MJJ, Lindros KO and Ingelman-Sundberg M, The CYP2E subfamily. In: Cytochromes P450: Metabolic and Toxicological Aspects (Ed. Ioannides C), Chap. 9, pp. 211-239. CRC Press, Boca Raton, 1996.
-
(1996)
In: Cytochromes P450: Metabolic and Toxicological Aspects
, pp. 211-239
-
-
Ronis, M.J.J.1
Lindros, K.O.2
Ingelman-Sundberg, M.3
-
6
-
-
0030924503
-
Properties of cytochrome P450 isoenzymes and their substrates. : Part 1: Active site characteristics
-
Smith D.A., Ackland M.J., Jones B.C. Properties of cytochrome P450 isoenzymes and their substrates. Part 1: Active site characteristics . Drug Disc Today. 2:1997;406-414.
-
(1997)
Drug Disc Today
, vol.2
, pp. 406-414
-
-
Smith, D.A.1
Ackland, M.J.2
Jones, B.C.3
-
7
-
-
0030763355
-
Properties of cytochrome P450 isoenzymes and their substrates. : Part 2: Properties of cytochrome P450 substrates
-
Smith D.A., Ackland M.J., Jones B.C. Properties of cytochrome P450 isoenzymes and their substrates. Part 2: Properties of cytochrome P450 substrates . Drug Disc Today. 2:1997;479-486.
-
(1997)
Drug Disc Today
, vol.2
, pp. 479-486
-
-
Smith, D.A.1
Ackland, M.J.2
Jones, B.C.3
-
8
-
-
0029088125
-
Molecular modelling of members of the P4502A subfamily: Application to studies of enzyme specificity
-
Lewis D.F.V., Lake B.G. Molecular modelling of members of the P4502A subfamily Application to studies of enzyme specificity . Xenobiotica. 25:1995;585-598.
-
(1995)
Xenobiotica
, vol.25
, pp. 585-598
-
-
Lewis, D.F.V.1
Lake, B.G.2
-
9
-
-
0030036211
-
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
-
Lewis D.F.V., Lake B.G. 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. 26:1996;723-753.
-
(1996)
Xenobiotica
, vol.26
, pp. 723-753
-
-
Lewis, D.F.V.1
Lake, B.G.2
-
10
-
-
0030963222
-
Molecular modelling of mammalian CYP2B isoforms and their interaction with substrates, inhibitors and redox components
-
Lewis D.F.V., Lake B.G. Molecular modelling of mammalian CYP2B isoforms and their interaction with substrates, inhibitors and redox components. Xenobiotica. 27:1997;443-487.
-
(1997)
Xenobiotica
, vol.27
, pp. 443-487
-
-
Lewis, D.F.V.1
Lake, B.G.2
-
11
-
-
0029805701
-
Molecular modelling of CYP3A4 from an alignment with CYP102: Identification of key interactions between putative active site residues and CYP3A-specific chemicals
-
Lewis D.F.V., Eddershaw P.J., Goldfarb P.S., Tarbit M.H. Molecular modelling of CYP3A4 from an alignment with CYP102 Identification of key interactions between putative active site residues and CYP3A-specific chemicals . Xenobiotica. 26:1996;1067-1086.
-
(1996)
Xenobiotica
, vol.26
, pp. 1067-1086
-
-
Lewis, D.F.V.1
Eddershaw, P.J.2
Goldfarb, P.S.3
Tarbit, M.H.4
-
12
-
-
0030914738
-
Molecular modelling of cytochrome P450 2D6 (CYP2D6) based on an alignment with CYP102: Structural studies on specific CYP2D6 substrate metabolism
-
Lewis D.F.V., Eddershaw P.J., Goldfarb P.S., Tarbit M.H. Molecular modelling of cytochrome P450 2D6 (CYP2D6) based on an alignment with CYP102 Structural studies on specific CYP2D6 substrate metabolism . Xenobiotica. 27:1997;319-340.
-
(1997)
Xenobiotica
, vol.27
, pp. 319-340
-
-
Lewis, D.F.V.1
Eddershaw, P.J.2
Goldfarb, P.S.3
Tarbit, M.H.4
-
13
-
-
0031588947
-
Molecular modelling of CYP2E1 enzymes from rat, mouse and man: An explanation for species differences in butadiene metabolism and potential carcinogenicity and rationalization of CYP2E substrate specificity
-
Lewis D.F.V., Bird M.G., Parke D.V. Molecular modelling of CYP2E1 enzymes from rat, mouse and man An explanation for species differences in butadiene metabolism and potential carcinogenicity and rationalization of CYP2E substrate specificity . Toxicology. 118:1997;93-113.
-
(1997)
Toxicology
, vol.118
, pp. 93-113
-
-
Lewis, D.F.V.1
Bird, M.G.2
Parke, D.V.3
-
14
-
-
0031934315
-
Molecular modelling of human CYP2C subfamily enzymes CYP2C9 and CYP2C19: Rationalization of substrate specificity and site-directed mutagenesis experiments in the CYP2C subfamily
-
Lewis D.F.V., Dickins M., Eddershaw P.J., Tarbit M.H., Goldfarb P.S. Molecular modelling of human CYP2C subfamily enzymes CYP2C9 and CYP2C19 Rationalization of substrate specificity and site-directed mutagenesis experiments in the CYP2C subfamily . Xenobiotica. 28:1998;235-268.
-
(1998)
Xenobiotica
, vol.28
, pp. 235-268
-
-
Lewis, D.F.V.1
Dickins, M.2
Eddershaw, P.J.3
Tarbit, M.H.4
Goldfarb, P.S.5
-
15
-
-
0032536171
-
Molecular modelling of omeprazole interactions with cytochrome P450 isozymes is consistent with metabolism in human liver microsomes
-
Lewis D.F.V., Lake B.G. Molecular modelling of omeprazole interactions with cytochrome P450 isozymes is consistent with metabolism in human liver microsomes. Toxicology. 125:1998;31-44.
-
(1998)
Toxicology
, vol.125
, pp. 31-44
-
-
Lewis, D.F.V.1
Lake, B.G.2
-
16
-
-
0031812180
-
Models to predict drug metabolism
-
Lewis D.F.V. Models to predict drug metabolism. Manuf Chem. 69:1998;15-19.
-
(1998)
Manuf Chem
, vol.69
, pp. 15-19
-
-
Lewis, D.F.V.1
-
17
-
-
0025886180
-
Toward the semiquantitative estimation of binding constants. Guides for peptide-peptide binding in aqueous solution
-
Williams D.H., Cox J.P.L., Doig A.J., Gardner M., Gerhard U., Kaye P.T., Lal A.R., Nicholls I.A., Salter C.J., Mitchell R.C. Toward the semiquantitative estimation of binding constants. Guides for peptide-peptide binding in aqueous solution. J Am Chem Soc. 113:1991;7020-7030.
-
(1991)
J Am Chem Soc
, vol.113
, pp. 7020-7030
-
-
Williams, D.H.1
Cox, J.P.L.2
Doig, A.J.3
Gardner, M.4
Gerhard, U.5
Kaye, P.T.6
Lal, A.R.7
Nicholls, I.A.8
Salter, C.J.9
Mitchell, R.C.10
-
18
-
-
18744429213
-
Structural determinants of P450 substrate specificity, binding affinity and catalytic rate
-
Lewis D.F.V., Eddershaw P.J., Goldfarb P.S., Tarbit M.H. Structural determinants of P450 substrate specificity, binding affinity and catalytic rate. Chem Biol Interact. 115:1998;175-199.
-
(1998)
Chem Biol Interact
, vol.115
, pp. 175-199
-
-
Lewis, D.F.V.1
Eddershaw, P.J.2
Goldfarb, P.S.3
Tarbit, M.H.4
-
19
-
-
0032985950
-
Cytochrome P450 substrate specificities, substrate structural templates and enzyme active site geometries
-
Lewis D.F.V., Dickins M., Eddershaw P.J., Tarbit M.H., Goldfarb P.S. Cytochrome P450 substrate specificities, substrate structural templates and enzyme active site geometries. Drug Metabol Drug Interact. 15:1999;1-49.
-
(1999)
Drug Metabol Drug Interact
, vol.15
, pp. 1-49
-
-
Lewis, D.F.V.1
Dickins, M.2
Eddershaw, P.J.3
Tarbit, M.H.4
Goldfarb, P.S.5
-
20
-
-
0031757422
-
The P450 catalytic cycle and oxygenation mechanism
-
Lewis D.F.V., Pratt J.M. The P450 catalytic cycle and oxygenation mechanism. Drug Metab Rev. 30:1998;739-786.
-
(1998)
Drug Metab Rev
, vol.30
, pp. 739-786
-
-
Lewis, D.F.V.1
Pratt, J.M.2
-
21
-
-
0030834058
-
Human cytochrome P450 enzymes: A status report summarizing their reactions, substrates, inducers, and inhibitors
-
Rendic S., Di Carlo F.J. Human cytochrome P450 enzymes A status report summarizing their reactions, substrates, inducers, and inhibitors . Drug Metab Rev. 29:1997;413-580.
-
(1997)
Drug Metab Rev
, vol.29
, pp. 413-580
-
-
Rendic, S.1
Di Carlo, F.J.2
-
22
-
-
0030022629
-
An overview of current cytochrome P450 technology for assessing the safety and efficacy of new materials
-
Parkinson A. An overview of current cytochrome P450 technology for assessing the safety and efficacy of new materials. Toxicol Pathol. 24:1996;45-57.
-
(1996)
Toxicol Pathol
, vol.24
, pp. 45-57
-
-
Parkinson, A.1
-
23
-
-
0028272001
-
Role of human cytochromes P450 in the metabolic activation of chemical carcinogens and toxins
-
Gonzalez F.J., Gelboin H.V. Role of human cytochromes P450 in the metabolic activation of chemical carcinogens and toxins. Drug Metab Rev. 26:1994;165-183.
-
(1994)
Drug Metab Rev
, vol.26
, pp. 165-183
-
-
Gonzalez, F.J.1
Gelboin, H.V.2
-
24
-
-
84942048668
-
Octanol-water partition coefficients of simple organic compounds
-
Sangster J. Octanol-water partition coefficients of simple organic compounds. J Phys Chem Ref Data. 18:1989;1111-1229.
-
(1989)
J Phys Chem Ref Data
, vol.18
, pp. 1111-1229
-
-
Sangster, J.1
-
26
-
-
0025439652
-
Automatic log P estimation based on combined additive modelling methods
-
Suzuki T., Kudo Y. Automatic log P estimation based on combined additive modelling methods. J Comput Aided Mol Des. 4:1990;155-198.
-
(1990)
J Comput Aided Mol des
, vol.4
, pp. 155-198
-
-
Suzuki, T.1
Kudo, Y.2
-
27
-
-
0027325507
-
On the reliability of calculated log P values: Rekker, Hansch/Leo and Suzuki approach
-
Rekker R.F., ter Laak A.M., Mannhold R. On the reliability of calculated log P values Rekker, Hansch/Leo and Suzuki approach . Quant Struct Act Relat. 12:1993;152-157.
-
(1993)
Quant Struct Act Relat
, vol.12
, pp. 152-157
-
-
Rekker, R.F.1
Ter Laak, A.M.2
Mannhold, R.3
-
28
-
-
0023546523
-
Hydrophobicity and central nervous system agents: On the principle of minimal hydrophobicity in drug design
-
Hansch C., Bjorkroth J.P., Leo A. Hydrophobicity and central nervous system agents On the principle of minimal hydrophobicity in drug design . J Pharm Sci. 76:1987;663-687.
-
(1987)
J Pharm Sci
, vol.76
, pp. 663-687
-
-
Hansch, C.1
Bjorkroth, J.P.2
Leo, A.3
-
30
-
-
0031013972
-
bm-3 haem domain complexed with the fatty acid substrate, palmitoleic acid
-
bm-3 haem domain complexed with the fatty acid substrate, palmitoleic acid. Nat Struct Biol. 4:1997;140-146.
-
(1997)
Nat Struct Biol
, vol.4
, pp. 140-146
-
-
Li, H.1
Poulos, T.L.2
-
31
-
-
84951734379
-
Physicochemical properties in drug metabolism and pharmacokinetics
-
(Eds. van de Waterbeemd H, Testa B and Folkers G), Chap. 17 Wiley, New York
-
Smith DA, Physicochemical properties in drug metabolism and pharmacokinetics. In: Computer-Assisted Lead Finding and Optimization (Eds. van de Waterbeemd H, Testa B and Folkers G), Chap. 17, pp. 265-276. Wiley, New York, 1997.
-
(1997)
In: Computer-Assisted Lead Finding and
, pp. 265-276
-
-
Smith, D.A.1
-
32
-
-
0025772460
-
Species differences in metabolism and pharmacokinetics: Are we close to an understanding?
-
Smith D.A. Species differences in metabolism and pharmacokinetics Are we close to an understanding? Drug Metab Rev. 23:1991;355-373.
-
(1991)
Drug Metab Rev
, vol.23
, pp. 355-373
-
-
Smith, D.A.1
-
33
-
-
0026459382
-
Speculations on the substrate structure-activity relationship (SSAR) of cytochrome P450 enzymes
-
Smith D.A., Jones B.C. Speculations on the substrate structure-activity relationship (SSAR) of cytochrome P450 enzymes. Biochem Pharmacol. 44:1992;2089-2098.
-
(1992)
Biochem Pharmacol
, vol.44
, pp. 2089-2098
-
-
Smith, D.A.1
Jones, B.C.2
-
34
-
-
0031877729
-
2 family: Models, mutants and interactions
-
Lewis D.F.V. 2 family Models, mutants and interactions . Xenobiotica. 28:1998;617-661.
-
(1998)
Xenobiotica
, vol.28
, pp. 617-661
-
-
Lewis, D.F.V.1
-
35
-
-
0002705223
-
Molecular basis of receptor-ligand interactions
-
(Eds. Voiculetz N, Motoc I and Simon Z), Chap. 2 CRC Press, Boca Raton
-
Simon Z, Motoc I and Chiriac A, Molecular basis of receptor-ligand interactions. In: Specific Interactions and Biological Recognition Processes (Eds. Voiculetz N, Motoc I and Simon Z), Chap. 2, pp. 17-79. CRC Press, Boca Raton, 1993.
-
(1993)
In: Specific Interactions and Biological Recognition Processes
, pp. 17-79
-
-
Simon, Z.1
Motoc, I.2
Chiriac, A.3
-
36
-
-
0028454828
-
The development of a simple empirical scoring function to estimate the binding constant for a protein-ligand complex of known three-dimensional structure
-
Bohm H.-J. The development of a simple empirical scoring function to estimate the binding constant for a protein-ligand complex of known three-dimensional structure. J Comput Aided Mol Des. 8:1994;243-256.
-
(1994)
J Comput Aided Mol des
, vol.8
, pp. 243-256
-
-
Bohm, H.-J.1
-
37
-
-
0026416668
-
Reconciling the magnitude of the microscopic and macroscopic hydrophobic effects
-
Sharp K.A., Nicholls A., Fine R.F., Honig B. Reconciling the magnitude of the microscopic and macroscopic hydrophobic effects. Science. 252:1991;106-109.
-
(1991)
Science
, vol.252
, pp. 106-109
-
-
Sharp, K.A.1
Nicholls, A.2
Fine, R.F.3
Honig, B.4
-
38
-
-
0016390617
-
A theoretical study of solvent effects on the conformational stability of acetylcholine
-
Beveridge D.L., Kelly M.M., Radna R.J. A theoretical study of solvent effects on the conformational stability of acetylcholine. J Am Chem Soc. 96:1974;3769-3778.
-
(1974)
J Am Chem Soc
, vol.96
, pp. 3769-3778
-
-
Beveridge, D.L.1
Kelly, M.M.2
Radna, R.J.3
-
41
-
-
0000541921
-
Intermolecular forces and molecular binding. In: Comprehensive Medicinal Chemistry
-
(Eds. Hansch C, Sammes PG and Taylor JB) Pergamon, Oxford
-
Andrews PR and Tintelnot M, Intermolecular forces and molecular binding. In: Comprehensive Medicinal Chemistry (Eds. Hansch C, Sammes PG and Taylor JB), Vol. 4: Quantitative Drug Design, pp. 321-347. Pergamon, Oxford, 1990.
-
(1990)
Quantitative Drug Design
, vol.4
, pp. 321-347
-
-
Andrews, P.R.1
Tintelnot, M.2
-
42
-
-
0343750065
-
Molecular modelling of the heme environment of human prostaglandin endoperoxide synthase 1: Comparison with the crystal structure
-
F. Sanz, J. Giraldo, & F. Manaut. Barcelona: Prous
-
Holtje H.-D., Kemmritz K. Molecular modelling of the heme environment of human prostaglandin endoperoxide synthase 1 Comparison with the crystal structure . Sanz F., Giraldo J., Manaut F. QSAR and Molecular Modelling. 1995;549-555 Prous, Barcelona.
-
(1995)
QSAR and Molecular Modelling
, pp. 549-555
-
-
Holtje, H.-D.1
Kemmritz, K.2
-
43
-
-
0031469242
-
Molecular mechanics calculations of proteins. Comparison of different energy minimization strategies
-
Christensen I.T., Jorgensen F.S. Molecular mechanics calculations of proteins. Comparison of different energy minimization strategies. J Biomol Struct Dyn. 15:1997;473-488.
-
(1997)
J Biomol Struct Dyn
, vol.15
, pp. 473-488
-
-
Christensen, I.T.1
Jorgensen, F.S.2
-
44
-
-
0010319547
-
Physico-chemical aspects of molecular recognition
-
(Ed. Delaage M), Chap. 1 VCH, New York
-
Delaage M, Physico-chemical aspects of molecular recognition. In: Molecular Recognition Mechanisms (Ed. Delaage M), Chap. 1, pp. 1-13. VCH, New York, 1991.
-
(1991)
In: Molecular Recognition Mechanisms
, pp. 1-13
-
-
Delaage, M.1
-
45
-
-
0028832796
-
Evidence that aspartic acid 301 is a critical substrate-contact residue in the active site of cytochrome P450 2D6
-
Ellis S.W., Hayhurst G.P., Smith G., Lightfoot T., Wang M.M.S., Simula A.P., Ackland M.J., Sternberg M.J.E., Lennard M.S., Tucker G.T., Wolf C.R. Evidence that aspartic acid 301 is a critical substrate-contact residue in the active site of cytochrome P450 2D6. J Biol Chem. 270:1995;29055-29058.
-
(1995)
J Biol Chem
, vol.270
, pp. 29055-29058
-
-
Ellis, S.W.1
Hayhurst, G.P.2
Smith, G.3
Lightfoot, T.4
Wang, M.M.S.5
Simula, A.P.6
Ackland, M.J.7
Sternberg, M.J.E.8
Lennard, M.S.9
Tucker, G.T.10
Wolf, C.R.11
-
46
-
-
0001003113
-
Molecular mechanics and the modelling of drug structures. In: Comprehensive Medicinal
-
(Eds. Hansch C, Sammes PG and Taylor JB) Pergamon, Oxford
-
Seibel GL and Kollman PA, Molecular mechanics and the modelling of drug structures. In: Comprehensive Medicinal Chemistry (Eds. Hansch C, Sammes PG and Taylor JB), Vol. 4: Quantitative Drug Design, pp. 125-138. Pergamon, Oxford, 1990.
-
(1990)
Quantitative Drug Design
, vol.4
, pp. 125-138
-
-
Seibel, G.L.1
Kollman, P.A.2
-
47
-
-
0003875223
-
-
Clarendon Press, Oxford
-
Rigby M, Smith EB, Wakeham WA and Maitland GC, The Forces between Molecules. Clarendon Press, Oxford, 1986.
-
(1986)
The Forces between Molecules
-
-
Rigby, M.1
Smith, E.B.2
Wakeham, W.A.3
Maitland, G.C.4
-
50
-
-
0015495445
-
Camphor binding by Pseudomonas putida cytochrome P-450. Kinetics and thermodynamics of the reaction
-
Griffin B.W., Peterson J.A. Camphor binding by Pseudomonas putida cytochrome P-450. Kinetics and thermodynamics of the reaction. Biochemistry. 11:1972;4740-4746.
-
(1972)
Biochemistry
, vol.11
, pp. 4740-4746
-
-
Griffin, B.W.1
Peterson, J.A.2
-
51
-
-
0021745755
-
Functional group contributions to drug-receptor interactions
-
Andrews P.R., Craig D.J., Martin J.L. Functional group contributions to drug-receptor interactions. J Med Chem. 27:1984;1648-1657.
-
(1984)
J Med Chem
, vol.27
, pp. 1648-1657
-
-
Andrews, P.R.1
Craig, D.J.2
Martin, J.L.3
-
53
-
-
0011122878
-
Rotational diffusion of homo- And hetero-oligomers of cytochrome P450: The functional significance of cooperativity and the membrane structure
-
Finch S.A.E., Stier A. Rotational diffusion of homo- and hetero-oligomers of cytochrome P450 The functional significance of cooperativity and the membrane structure . Front Biotransform. 5:1991;34-71.
-
(1991)
Front Biotransform
, vol.5
, pp. 34-71
-
-
Finch, S.A.E.1
Stier, A.2
-
54
-
-
0027475726
-
Toward an estimation of vancomycin group antibiotics
-
Williams D.H., Searle M.S., MacKay J.P., Gerhard U., Maplestone R.A. Toward an estimation of vancomycin group antibiotics. Proc Natl Acad Sci USA. 90:1993;1172-1178.
-
(1993)
Proc Natl Acad Sci USA
, vol.90
, pp. 1172-1178
-
-
Williams, D.H.1
Searle, M.S.2
MacKay, J.P.3
Gerhard, U.4
Maplestone, R.A.5
-
55
-
-
0003129864
-
The molecular basis of biological order
-
Williams D.H. The molecular basis of biological order. Aldrichim Acta. 24:1991;71-80.
-
(1991)
Aldrichim Acta
, vol.24
, pp. 71-80
-
-
Williams, D.H.1
-
56
-
-
9644258919
-
The cost of conformational order: Entropy changes in molecular associations
-
Searle M.S., Williams D.H. The cost of conformational order Entropy changes in molecular associations . J Am Chem Soc. 114:1992;10690-10697.
-
(1992)
J Am Chem Soc
, vol.114
, pp. 10690-10697
-
-
Searle, M.S.1
Williams, D.H.2
-
57
-
-
0027054352
-
Partitioning of free energy contributions in the estimation of binding constants: Residual motions and consequences for amide-amide hydrogen bond strengths
-
Searle M.S., Williams D.H., Gerhard U. Partitioning of free energy contributions in the estimation of binding constants Residual motions and consequences for amide-amide hydrogen bond strengths . J Am Chem Soc. 114:1992;10697-10704.
-
(1992)
J Am Chem Soc
, vol.114
, pp. 10697-10704
-
-
Searle, M.S.1
Williams, D.H.2
Gerhard, U.3
-
59
-
-
0000049962
-
Computer modelling of the interactions of complex molecules
-
Kollman P.A., Merz K.M. Computer modelling of the interactions of complex molecules. Acc Chem Res. 23:1990;246-252.
-
(1990)
Acc Chem Res
, vol.23
, pp. 246-252
-
-
Kollman, P.A.1
Merz, K.M.2
-
60
-
-
0000678004
-
Crown ether-neutral molecule interactions studied by molecular mechanics, normal mode analysis, and free energy perturbation calculations. Near quantitative agreement between theory and experimental binding energies
-
Grootenhuis P.D.J., Kollman P.A. Crown ether-neutral molecule interactions studied by molecular mechanics, normal mode analysis, and free energy perturbation calculations. Near quantitative agreement between theory and experimental binding energies. J Am Chem Soc. 111:1989;4046-4051.
-
(1989)
J Am Chem Soc
, vol.111
, pp. 4046-4051
-
-
Grootenhuis, P.D.J.1
Kollman, P.A.2
-
63
-
-
0030053367
-
Quantum mechanical model assembly calculations of energetics of binding of ligands to protein receptors
-
Perakyla M and Pakkanen TA, Quantum mechanical model assembly calculations of energetics of binding of ligands to protein receptors. Biochem Soc Trans 24: 143S, 1996.
-
(1996)
Biochem Soc
, vol.24
-
-
Perakyla, M.1
Pakkanen, T.A.2
-
64
-
-
13344282748
-
An approach to rapid estimation of relative binding affinities of enzyme inhibitors: Application to peptidomimetic inhibitors of the human immunodeficiency virus type 1 protease
-
Viswanadhan V.N., Reddy M.R., Wlodawer A., Varney M.D., Weinstein J.N. An approach to rapid estimation of relative binding affinities of enzyme inhibitors Application to peptidomimetic inhibitors of the human immunodeficiency virus type 1 protease . J Med Chem. 39:1996;705-712.
-
(1996)
J Med Chem
, vol.39
, pp. 705-712
-
-
Viswanadhan, V.N.1
Reddy, M.R.2
Wlodawer, A.3
Varney, M.D.4
Weinstein, J.N.5
-
67
-
-
0001018633
-
Induction of cytochrome P450 enzymes that metabolize xenobiotics
-
(Ed. Ortiz de Montellano PR), Chap. 10 Plenum Press, New York
-
Whitlock JP and Denison MS, Induction of cytochrome P450 enzymes that metabolize xenobiotics. In: Cytochrome P450 (Ed. Ortiz de Montellano PR), Chap. 10, pp. 367-390. Plenum Press, New York, 1995.
-
(1995)
In: Cytochrome P450
, pp. 367-390
-
-
Whitlock, J.P.1
Denison, M.S.2
-
68
-
-
0032498303
-
An orphan nuclear receptor activated by pregnanes defines a novel steroid signaling pathway
-
Kliewer S.A., Moore J.T., Wade L., Staudinger J.L., Watson M.A., Jones S.A., McKee D.D., Oliver B.B., Willson T.M., Zetterstrom R.H., Perlmann T., Lehmann J.M. An orphan nuclear receptor activated by pregnanes defines a novel steroid signaling pathway. Cell. 92:1998;73-82.
-
(1998)
Cell
, vol.92
, pp. 73-82
-
-
Kliewer, S.A.1
Moore, J.T.2
Wade, L.3
Staudinger, J.L.4
Watson, M.A.5
Jones, S.A.6
McKee, D.D.7
Oliver, B.B.8
Willson, T.M.9
Zetterstrom, R.H.10
Perlmann, T.11
Lehmann, J.M.12
-
69
-
-
0030788112
-
Prediction of distribution coefficient from structure. 1. Estimation method
-
Csizmadia F., Tsantili-Kakoulidou A., Panderi I., Darvas F. Prediction of distribution coefficient from structure. 1. Estimation method. J Pharm Sci. 86:1997;865-871.
-
(1997)
J Pharm Sci
, vol.86
, pp. 865-871
-
-
Csizmadia, F.1
Tsantili-Kakoulidou, A.2
Panderi, I.3
Darvas, F.4
-
70
-
-
0025987039
-
Physical parameters for brain uptake: Optimizing log P, log D and pKa of THA
-
Desai M.C., Thadeio P.F., Lipinski C.A., Liston D.R., Spencer R.W., Williams I.H. Physical parameters for brain uptake Optimizing log P, log D and pKa of THA . Bioorg Med Chem Lett. 1:1991;411-414.
-
(1991)
Bioorg Med Chem Lett
, vol.1
, pp. 411-414
-
-
Desai, M.C.1
Thadeio, P.F.2
Lipinski, C.A.3
Liston, D.R.4
Spencer, R.W.5
Williams, I.H.6
-
71
-
-
0002436361
-
Recherches dans la serie des azoles. XXXV. Relations basicite-structure dans la serie du pyrazole
-
Elguero J, Gonzalez E and Jacquier R, Recherches dans la serie des azoles. XXXV. Relations basicite-structure dans la serie du pyrazole. Bull Soc Chim Fr 5009-5017, 1968.
-
(1968)
Bull Soc Chim
, pp. 5009-5017
-
-
Elguero, J.1
Gonzalez, E.2
Jacquier, R.3
-
72
-
-
0026685341
-
Determination of partition coefficients and ionization constants of (S)(-)-nicotine and certain metabolites
-
Li N.-Y., Li T., Gorrod J.W. Determination of partition coefficients and ionization constants of (S)(-)-nicotine and certain metabolites. Med Sci Res. 20:1992;901-902.
-
(1992)
Med Sci Res
, vol.20
, pp. 901-902
-
-
Li, N.-Y.1
Li, T.2
Gorrod, J.W.3
-
73
-
-
0018247542
-
a values of medicinal compounds in pharmacy practice
-
a values of medicinal compounds in pharmacy practice. Drug Intell Clin Pharm. 12:1978;546-554.
-
(1978)
Drug Intell Clin Pharm
, vol.12
, pp. 546-554
-
-
Newton, D.W.1
Kluza, R.B.2
-
74
-
-
0021052458
-
Corneal penetration behaviour of β-blocking agents. 1. Physico-chemical factors
-
Schoenwald R.D., Huang H.S. Corneal penetration behaviour of β-blocking agents. 1. Physico-chemical factors. J Pharm Sci. 72:1983;1266-1272.
-
(1983)
J Pharm Sci
, vol.72
, pp. 1266-1272
-
-
Schoenwald, R.D.1
Huang, H.S.2
-
75
-
-
0030928584
-
Prediction of distribution coefficient from structure. 2. Validation of Prolog D, an expert system
-
Tsantili-Kakoulidou A., Panderi I., Csizmadia F., Darvas F. Prediction of distribution coefficient from structure. 2. Validation of Prolog D, an expert system. J Pharm Sci. 86:1997;1173-1179.
-
(1997)
J Pharm Sci
, vol.86
, pp. 1173-1179
-
-
Tsantili-Kakoulidou, A.1
Panderi, I.2
Csizmadia, F.3
Darvas, F.4
-
76
-
-
0031754690
-
An improved and updated version of the COMPACT procedure for the evaluation of P450-mediated chemical activation
-
Lewis D.F.V., Ioannides C., Parke D.V. An improved and updated version of the COMPACT procedure for the evaluation of P450-mediated chemical activation. Drug Metab Rev. 30:1998;709-737.
-
(1998)
Drug Metab Rev
, vol.30
, pp. 709-737
-
-
Lewis, D.F.V.1
Ioannides, C.2
Parke, D.V.3
|