메뉴 건너뛰기




Volumn 99, Issue 3, 2006, Pages 195-208

The challenge of predicting drug toxicity in silico

Author keywords

[No Author keywords available]

Indexed keywords

2,3,7,8 TETRACHLORODIBENZO PARA DIOXIN; ANDROGEN RECEPTOR; ANTIANDROGEN; AROMATIC HYDROCARBON RECEPTOR; BETA CARBOLINE; BIPHENYL DERIVATIVE; CELL NUCLEUS RECEPTOR; CYPROTERONE; CYTOCHROME P450 3A4; DIBENZODIOXIN DERIVATIVE; DIBENZOFURAN; ENDOCRINE DISRUPTOR; ESTROGEN RECEPTOR; G PROTEIN COUPLED RECEPTOR; GUANABENZ; HARMALINE; HARMALOL; HARMOL; IDAZOXAN; MEPROBAMATE; POLYCYCLIC AROMATIC HYDROCARBON; THYROID HORMONE; XENOBIOTIC AGENT;

EID: 33748286994     PISSN: 17427835     EISSN: 17427843     Source Type: Journal    
DOI: 10.1111/j.1742-7843.2006.pto_471.x     Document Type: Short Survey
Times cited : (76)

References (87)
  • 1
    • 0037452436 scopus 로고    scopus 로고
    • Toxicokinetic modeling and its application in chemical risk assessment
    • Anderson, M. E.: Toxicokinetic modeling and its application in chemical risk assessment. Toxicol. Lett. 2003, 18, 9-27.
    • (2003) Toxicol. Lett. , vol.18 , pp. 9-27
    • Anderson, M.E.1
  • 2
    • 33751553380 scopus 로고
    • New QSAR techniques eyed for environmental assessments
    • A.F.A. Cros, Ph.D. Thesis, University of Strasbourg, 1863 cited
    • Borman, S.: A.F.A. Cros, Ph.D. Thesis, University of Strasbourg, 1863 cited from "New QSAR techniques eyed for environmental assessments". Chem. & Eng. News 1990, 19, 20-23.
    • (1990) Chem. & Eng. News , vol.19 , pp. 20-23
    • Borman, S.1
  • 3
    • 1042302103 scopus 로고    scopus 로고
    • Early prediction of drug metabolism and toxicity: Systems biology approach and modeling
    • Bugrim, A., T. Nikolskaya & Y. Nikolski: Early prediction of drug metabolism and toxicity: Systems biology approach and modeling. Drug Discovery Today 2004, 9, 127-135.
    • (2004) Drug Discovery Today , vol.9 , pp. 127-135
    • Bugrim, A.1    Nikolskaya, T.2    Nikolski, Y.3
  • 4
    • 0026657024 scopus 로고
    • Evidence for decreasing quality of semen during past 50 years
    • Carlsen, E., A. Giwercman, N. Keiding & N. E. Skakkebæk: Evidence for decreasing quality of semen during past 50 years. Brit. Med. J. 1992, 305, 609-613.
    • (1992) Brit. Med. J. , vol.305 , pp. 609-613
    • Carlsen, E.1    Giwercman, A.2    Keiding, N.3    Skakkebæk, N.E.4
  • 5
    • 0028832564 scopus 로고
    • Environmental estrogens: Health implications for humans and wildlife
    • Colborn, T.: Environmental estrogens: Health implications for humans and wildlife. Environ. Health Perspect. 1995, 103, 135-136.
    • (1995) Environ. Health Perspect. , vol.103 , pp. 135-136
    • Colborn, T.1
  • 6
    • 0027428381 scopus 로고
    • Developmental effects of endocrine-disrupting chemicals in wildlife and humans
    • Colborn, T., F. S. von Saal & A. M. Soto: Developmental effects of endocrine-disrupting chemicals in wildlife and humans (see comments). Environ. Health Perspect. 1993, 101, 378-384.
    • (1993) Environ. Health Perspect. , vol.101 , pp. 378-384
    • Colborn, T.1    Von Saal, F.S.2    Soto, A.M.3
  • 7
    • 0027013007 scopus 로고
    • AM1-SM2 and PM3-SM3 parametrized SCF solvation models for free energies in aqueous solution
    • Cramer, C. J. & D. G. Truhlar: AM1-SM2 and PM3-SM3 parametrized SCF solvation models for free energies in aqueous solution. J. Comp.-Aided Molec. Design 1992, 6, 629-666.
    • (1992) J. Comp.-Aided Molec. Design , vol.6 , pp. 629-666
    • Cramer, C.J.1    Truhlar, D.G.2
  • 8
    • 0023751431 scopus 로고
    • Comparative molecular fields analysis (CoMFA). I. Effect of shape on binding of steroids to carrier proteins
    • Cramer, R. D., D. E. Patterson & J. D. Bunce: Comparative molecular fields analysis (CoMFA). I. Effect of shape on binding of steroids to carrier proteins. J. Amer. Chem. Soc. 1988, 110, 5959-5967.
    • (1988) J. Amer. Chem. Soc. , vol.110 , pp. 5959-5967
    • Cramer, R.D.1    Patterson, D.E.2    Bunce, J.D.3
  • 9
    • 0010914989 scopus 로고
    • The lattice model: A general paradigm for shape-related structure-activity correlations
    • April COMP 44
    • Cramer, R. D. & M. Milne: The lattice model: a general paradigm for shape-related structure-activity correlations. Abstracts of papers of the Am. Chem. Soc. Meeting, April 1979, COMP 44.
    • (1979) Abstracts of Papers of the Am. Chem. Soc. Meeting
    • Cramer, R.D.1    Milne, M.2
  • 10
    • 0022647949 scopus 로고
    • Substituted polychlorinated dibenzofuran receptor-binding af-finities and hydrocarbon hydroxylase induction potenties - A QSAR analysis
    • Denomme, M. A., K. Homonko, T. Fujita, T. Sawyer & S. Safe: Substituted polychlorinated dibenzofuran receptor-binding af-finities and hydrocarbon hydroxylase induction potenties - A QSAR analysis. Chem.-Biol.Interactions 1986, 57, 175-187.
    • (1986) Chem.-Biol.Interactions , vol.57 , pp. 175-187
    • Denomme, M.A.1    Homonko, K.2    Fujita, T.3    Sawyer, T.4    Safe, S.5
  • 11
    • 0022258326 scopus 로고
    • Effects of substituents on the cytosolic receptor-binding avidities and aryl hydrocarbon hydroxylase induction potencies of 7-substituted 2,3-dichlorodibenzo-p-dioxins
    • Denomme, M. A., K. Homonko, T. Fujita, T. Sawyer & S. Safe: Effects of substituents on the cytosolic receptor-binding avidities and aryl hydrocarbon hydroxylase induction potencies of 7-substituted 2,3-dichlorodibenzo-p-dioxins. Mol. Pharmacol. 1985, 27, 656-661.
    • (1985) Mol. Pharmacol. , vol.27 , pp. 656-661
    • Denomme, M.A.1    Homonko, K.2    Fujita, T.3    Sawyer, T.4    Safe, S.5
  • 12
    • 0003059076 scopus 로고
    • Swimming in a sea of estrogens
    • Dibb, S.: Swimming in a sea of estrogens. The Ecologist 1995, 25, 27-31.
    • (1995) The Ecologist , vol.25 , pp. 27-31
    • Dibb, S.1
  • 13
    • 0038749409 scopus 로고    scopus 로고
    • From crystal structures and their analysis to the in silico prediction of toxic phenomena
    • Dobler, M., M. A. Lill & A. Vedani: From crystal structures and their analysis to the in silico prediction of toxic phenomena. Helv. Chim. Acta 2003, 86, 1554-1568.
    • (2003) Helv. Chim. Acta , vol.86 , pp. 1554-1568
    • Dobler, M.1    Lill, M.A.2    Vedani, A.3
  • 14
    • 0036229805 scopus 로고    scopus 로고
    • Three-dimensional structure-activity relationship for inhibition of human ether-a-go-go-related gene potassium channel
    • Ekins, S., B. J. Crumb, R. D. Sarazan, J. H. Wikel & S. A. Wrighton: Three-dimensional structure-activity relationship for inhibition of human ether-a-go-go-related gene potassium channel. J. Pharmacol. Exp. Therap. 2002, 301, 427-434.
    • (2002) J. Pharmacol. Exp. Therap. , vol.301 , pp. 427-434
    • Ekins, S.1    Crumb, B.J.2    Sarazan, R.D.3    Wikel, J.H.4    Wrighton, S.A.5
  • 15
    • 0033011395 scopus 로고    scopus 로고
    • Three- and four-dimensional quantitative structure-activity relationship analyses of cytochrome P450 3A4 inhibitors
    • Ekins, S., G. Bravi, S. Binkley, J. S. Gillespie, B. J. Ring, J. H. Wikel & S. A. Wrighton: Three- and four-dimensional quantitative structure-activity relationship analyses of cytochrome P450 3A4 inhibitors. J. Pharmacol. Exp. Therap. 1999, 290, 429-438.
    • (1999) J. Pharmacol. Exp. Therap. , vol.290 , pp. 429-438
    • Ekins, S.1    Bravi, G.2    Binkley, S.3    Gillespie, J.S.4    Ring, B.J.5    Wikel, J.H.6    Wrighton, S.A.7
  • 16
    • 0028857865 scopus 로고
    • Estrogens in unexpected places: Possible implications for researchers and consumers
    • Feldman, D. & A. Krishnan: Estrogens in unexpected places: Possible implications for researchers and consumers. Environ. Health Perspect. 1995, 103, 129-133.
    • (1995) Environ. Health Perspect. , vol.103 , pp. 129-133
    • Feldman, D.1    Krishnan, A.2
  • 17
    • 0033807119 scopus 로고    scopus 로고
    • Receptor-mediated effects of chlorinated hydrocarbons
    • Fischer, B.: Receptor-mediated effects of chlorinated hydrocarbons. Andrologia 2000, 32, 279- 283.
    • (2000) Andrologia , vol.32 , pp. 279-283
    • Fischer, B.1
  • 18
    • 33947485697 scopus 로고
    • A mathematical contribution to structure-activity studies
    • Free, S. M. & J. W. Wilson: A mathematical contribution to structure-activity studies. J. Med. Chem. 1964, 7, 395-399.
    • (1964) J. Med. Chem. , vol.7 , pp. 395-399
    • Free, S.M.1    Wilson, J.W.2
  • 19
    • 0033096995 scopus 로고    scopus 로고
    • Comparative QSAR analysis of estrogen receptor ligands
    • Gao H., J. A. Katzenellenbogen, R. Garg & C. Hansch: Comparative QSAR analysis of estrogen receptor ligands. Chem. Rev. 1999, 99, 723-744.
    • (1999) Chem. Rev. , vol.99 , pp. 723-744
    • Gao, H.1    Katzenellenbogen, J.A.2    Garg, R.3    Hansch, C.4
  • 20
    • 0028849731 scopus 로고
    • Organization versus activation: The role of endocrine disrupting contaminants EDCs during embryonic development in wildlife
    • Guillette, L. J., D. A. Crain A. A. Rooney & D. B. Pickford: Organization versus activation: the role of endocrine disrupting contaminants EDCs during embryonic development in wildlife. Environ. Health Perspect. 1995, 103, 157-164.
    • (1995) Environ. Health Perspect. , vol.103 , pp. 157-164
    • Guillette, L.J.1    Crain, D.A.2    Rooney, A.A.3    Pickford, D.B.4
  • 21
    • 0029583261 scopus 로고
    • Receptor-mediated toxicity
    • Gustaffson, J. A.: Receptor-mediated toxicity. Toxicol. Lett. 1995, 135, 465-470.
    • (1995) Toxicol. Lett. , vol.135 , pp. 465-470
    • Gustaffson, J.A.1
  • 22
    • 33947340384 scopus 로고
    • Reaction rates and indicator acidities
    • Hammet, L. P.: Reaction rates and indicator acidities. Chem. Rev. 1935, 17, 67-79.
    • (1935) Chem. Rev. , vol.17 , pp. 67-79
    • Hammet, L.P.1
  • 23
    • 0036137948 scopus 로고    scopus 로고
    • 12-hydroxyeicosatetrenoate (12-HETE) attenuates AMPA receptor-mediated neurotoxicity: Evidence for a G-protein coupled HETE receptor
    • Hampson, A. J. & M. Grimaldi: 12-hydroxyeicosatetrenoate (12-HETE) attenuates AMPA receptor-mediated neurotoxicity: Evidence for a G-protein coupled HETE receptor. J. Neurosci. 2002, 22, 257-264.
    • (2002) J. Neurosci. , vol.22 , pp. 257-264
    • Hampson, A.J.1    Grimaldi, M.2
  • 24
    • 0040914011 scopus 로고
    • ρ-σ-π Analysis. A method for the correlation of biological activity and chemical structure
    • Hansch, C. & T. Fujita: ρ-σ-π Analysis. A method for the correlation of biological activity and chemical structure. J. Amer. Chem. Soc. 1964, 86, 1616-1626.
    • (1964) J. Amer. Chem. Soc. , vol.86 , pp. 1616-1626
    • Hansch, C.1    Fujita, T.2
  • 25
    • 0015545469 scopus 로고
    • Lipophilic character and biological activity of drugs II: The parabolic case
    • Hansch, C. & J. M. Clayton: Lipophilic character and biological activity of drugs II: The parabolic case. J. Pharm. Sci. 1973, 62, 1-21.
    • (1973) J. Pharm. Sci. , vol.62 , pp. 1-21
    • Hansch, C.1    Clayton, J.M.2
  • 26
    • 0034667405 scopus 로고    scopus 로고
    • Relative contribution of affinity and intrinsic efficacy to aryl hydrocarbon receptor ligand potency
    • Hestermann, E. V., J. J. Stegemann & M. E. Hahn: Relative contribution of affinity and intrinsic efficacy to aryl hydrocarbon receptor ligand potency. Tocixol. Appl. Pharmacol. 2000, 168, 160-172.
    • (2000) Tocixol. Appl. Pharmacol. , vol.168 , pp. 160-172
    • Hestermann, E.V.1    Stegemann, J.J.2    Hahn, M.E.3
  • 27
  • 29
    • 5444269348 scopus 로고    scopus 로고
    • In silico tools to aid risk assessment of endocrinedisrupting chemicals
    • Jacobs, M. N.: In silico tools to aid risk assessment of endocrinedisrupting chemicals. Toxicology 2004, 205, 43-53.
    • (2004) Toxicology , vol.205 , pp. 43-53
    • Jacobs, M.N.1
  • 31
    • 0023554425 scopus 로고
    • Estrogen receptor stereochemistry: Receptor binding and hormonal responses
    • Korach, K. S., L. A. Levy & P. J. Sarver: Estrogen receptor stereochemistry: receptor binding and hormonal responses. J. Steroid Biochem. 1987, 27, 281-290.
    • (1987) J. Steroid Biochem. , vol.27 , pp. 281-290
    • Korach, K.S.1    Levy, L.A.2    Sarver, P.J.3
  • 32
    • 0036793297 scopus 로고    scopus 로고
    • From narcosis to hyperspace: The history of QSAR
    • Kubinyi, H.: From narcosis to hyperspace: The history of QSAR. Quant. Struct.-Act. Relat. 2002, 21, 348-356.
    • (2002) Quant. Struct.-Act. Relat. , vol.21 , pp. 348-356
    • Kubinyi, H.1
  • 33
    • 0003476917 scopus 로고    scopus 로고
    • 3D-QSAR in drug design. Volume 3. Recent advances
    • Kluwer/ESCOM, Dordrecht 1998; also published
    • Kubinyi, H., G. Folkers & Y. C. Martin: 3D-QSAR in drug design. Volume 3. Recent advances, Kluwer/ESCOM, Dordrecht 1998; also published as Persp. Drug Disc. Design 1998b, 12-14, 1-352.
    • (1998) Persp. Drug Disc. Design , vol.12-14 , pp. 1-352
    • Kubinyi, H.1    Folkers, G.2    Martin, Y.C.3
  • 34
    • 27144438290 scopus 로고    scopus 로고
    • 3D-QSAR in drug design. Volume 2. Ligand-protein complexes and molecular similarity
    • Kluwer/ESCOM, Dordrecht 1998; also published
    • Kubinyi, H., G. Folkers & Y. C. Martin: 3D-QSAR in drug design. Volume 2. Ligand-protein complexes and molecular similarity, Kluwer/ESCOM, Dordrecht 1998; also published as Persp. Drug Disc. Design 1998a, 9-11, 1-416.
    • (1998) Persp. Drug Disc. Design , vol.9-11 , pp. 1-416
    • Kubinyi, H.1    Folkers, G.2    Martin, Y.C.3
  • 36
    • 0025875527 scopus 로고
    • The Ah receptor and the mechanism of dioxin toxicity
    • Landers, J. P. & N. J. Bunce: The Ah receptor and the mechanism of dioxin toxicity. Biochem. J. 1991, 276, 173-287.
    • (1991) Biochem. J. , vol.276 , pp. 173-287
    • Landers, J.P.1    Bunce, N.J.2
  • 37
    • 0027416347 scopus 로고
    • Thyroid hormone receptors: Multiple forms, multiple possibilities
    • Lazar, M. A.: Thyroid hormone receptors: Multiple forms, multiple possibilities. Endocr. Rev. 1993, 14, 184-193.
    • (1993) Endocr. Rev. , vol.14 , pp. 184-193
    • Lazar, M.A.1
  • 38
    • 0036643983 scopus 로고    scopus 로고
    • Quantitative structure-activity inducers of cytochrome P450 and nuclear receptor ligands involved in P450 regulation within the CYP1, CYP2, CYP3 and CYP4 families
    • Lewis, D. F. V., N. M. Jacobs, M. Dickins & B. G. Lake: Quantitative structure-activity inducers of cytochrome P450 and nuclear receptor ligands involved in P450 regulation within the CYP1, CYP2, CYP3 and CYP4 families. Toxicology 2002, 176, 51-57.
    • (2002) Toxicology , vol.176 , pp. 51-57
    • Lewis, D.F.V.1    Jacobs, N.M.2    Dickins, M.3    Lake, B.G.4
  • 39
    • 0003055868 scopus 로고
    • Structure-absorption-distribution relationships
    • Ed.: E. J. Ariëns. Academic Press, New York
    • Lien, E. J.: Structure-absorption-distribution relationships. In: Drug design, Volume V. Ed.: E. J. Ariëns. Academic Press, New York, 1975, pp. 81-132.
    • (1975) Drug Design , vol.5 , pp. 81-132
    • Lien, E.J.1
  • 40
    • 33644828608 scopus 로고    scopus 로고
    • Prediction of small-molecule binding to cytochrome P450 3A4: Flexible docking combined with multidimensional QSAR
    • Lill, M. A., M. Dobler & A. Vedani: Prediction of small-molecule binding to cytochrome P450 3A4: Flexible docking combined with multidimensional QSAR. Chem. Med. Chem. 2006, 1, 73-81.
    • (2006) Chem. Med. Chem. , vol.1 , pp. 73-81
    • Lill, M.A.1    Dobler, M.2    Vedani, A.3
  • 41
    • 24744458589 scopus 로고    scopus 로고
    • Impact of induced fit on ligand binding to the androgen receptor: A multidimensional QSAR study to predict endocrine-disrupting effects of environmental chemicals
    • Lill, M. A., F. Winiger, A. Vedani & B. Ernst: Impact of induced fit on ligand binding to the androgen receptor: A multidimensional QSAR study to predict endocrine-disrupting effects of environmental chemicals. J. Med. Chem. 2005, 48, 5666-5674.
    • (2005) J. Med. Chem. , vol.48 , pp. 5666-5674
    • Lill, M.A.1    Winiger, F.2    Vedani, A.3    Ernst, B.4
  • 42
    • 9744281868 scopus 로고    scopus 로고
    • Raptor - Combining dualshell representation, induced-fit simulation and hydrophobicity scoring in receptor modeling: Application towards the simulation of structurally diverse ligand sets
    • Lill, M. A., A. Vedani & M. Dobler: Raptor - combining dualshell representation, induced-fit simulation and hydrophobicity scoring in receptor modeling: Application towards the simulation of structurally diverse ligand sets. J. Med. Chem. 2004, 47, 6174-6186.
    • (2004) J. Med. Chem. , vol.47 , pp. 6174-6186
    • Lill, M.A.1    Vedani, A.2    Dobler, M.3
  • 43
    • 0343238353 scopus 로고    scopus 로고
    • GABA(A)-mediated toxicity of hippocampal neurons in vitro
    • Lukasink, K. & A. Pitkänen: GABA(A)-mediated toxicity of hippocampal neurons in vitro. J. Neurochem. 2000, 74, 2445-2454.
    • (2000) J. Neurochem. , vol.74 , pp. 2445-2454
    • Lukasink, K.1    Pitkänen, A.2
  • 46
    • 0000649537 scopus 로고    scopus 로고
    • Environmental estrogens
    • McLachlan, J. A. & S. F. Arnold: Environmental estrogens. Am. Sci. 1996, 84, 452-461.
    • (1996) Am. Sci. , vol.84 , pp. 452-461
    • McLachlan, J.A.1    Arnold, S.F.2
  • 48
    • 0028006520 scopus 로고
    • The Ah receptor: Mediator of the toxicity of 2,3,7,8-tetrachlorodibenzo- p-dioxin (TCDD) and related compounds
    • Okey, A. B., D. S. Riddick & P. A. Harper: The Ah receptor: Mediator of the toxicity of 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD) and related compounds. Toxicol. Lett. 1994, 70, 1-22.
    • (1994) Toxicol. Lett. , vol.70 , pp. 1-22
    • Okey, A.B.1    Riddick, D.S.2    Harper, P.A.3
  • 49
    • 0036020050 scopus 로고    scopus 로고
    • Receptor-mediated hepatocarcinogenesis: Role of hepatocyte proliferation and apoptosis
    • Oliver, J. D. & R. A. Roberts: Receptor-mediated hepatocarcinogenesis: role of hepatocyte proliferation and apoptosis. Pharmacology & Toxicology 2002, 91, 1-7.
    • (2002) Pharmacology & Toxicology , vol.91 , pp. 1-7
    • Oliver, J.D.1    Roberts, R.A.2
  • 50
    • 0142026020 scopus 로고    scopus 로고
    • Quantitative structure-activity relationship methods: Perspectives on drug discovery and toxicology
    • Perkins, R., H. Fang, W. Tong & W. J. Welsh: Quantitative structure-activity relationship methods: Perspectives on drug discovery and toxicology. Env. Tox. Chem. 2003, 8, 1666-1679.
    • (2003) Env. Tox. Chem. , vol.8 , pp. 1666-1679
    • Perkins, R.1    Fang, H.2    Tong, W.3    Welsh, W.J.4
  • 51
    • 0031079625 scopus 로고    scopus 로고
    • Estimating relative potency for receptor-mediated toxicity: Re-evaluating the toxicity equivalence factor (TEF) model
    • Putzrath, R. M.: Estimating relative potency for receptor-mediated toxicity: Re-evaluating the toxicity equivalence factor (TEF) model. Reg. Tox. Pharmacol. 1997, 25, 68-78.
    • (1997) Reg. Tox. Pharmacol. , vol.25 , pp. 68-78
    • Putzrath, R.M.1
  • 52
    • 0025954669 scopus 로고
    • Use of artificial intelligence in structure-affinity correlations of 2,3,7,8-tetrachloro-dibenzo-p-dioxin (TCDD) receptor ligands
    • Rannug, U., M. Sjörgren, A. Rannug, M. Gillner, R. Toftgard, J. -Å. Gustafsson, H. Rosenkranz, & G. Klopman: Use of artificial intelligence in structure-affinity correlations of 2,3,7,8-tetrachloro-dibenzo- p-dioxin (TCDD) receptor ligands. Carcinogenesis 1991, 12, 2007- 2015.
    • (1991) Carcinogenesis , vol.12 , pp. 2007-2015
    • Rannug, U.1    Sjörgren, M.2    Rannug, A.3    Gillner, M.4    Toftgard, R.5    Gustafsson, J.Å.6    Rosenkranz, H.7    Klopman, G.8
  • 53
    • 0000140296 scopus 로고
    • Environmental concentrations and ecotoxicological effects of PCDDs, PCD Fs and related compounds
    • Rappe, C.: Environmental concentrations and ecotoxicological effects of PCDDs, PCD Fs and related compounds. Organohalogen Compounds, Dioxin 1993, 12, 163-170.
    • (1993) Organohalogen Compounds, Dioxin , vol.12 , pp. 163-170
    • Rappe, C.1
  • 54
    • 0345404305 scopus 로고    scopus 로고
    • Receptor-mediated targeted drug or toxin delivery
    • Rihova, B.: Receptor-mediated targeted drug or toxin delivery. Adv. Drug Deliv. Rev. 1998, 29, 273-289.
    • (1998) Adv. Drug Deliv. Rev. , vol.29 , pp. 273-289
    • Rihova, B.1
  • 55
    • 0035951774 scopus 로고    scopus 로고
    • The role of protein activation in the toxicity of amyloidogenic Aβ (1-40), Aβ (25-35), and bovine calcitonin
    • Rymer, D. L. & T. A. Good: The role of protein activation in the toxicity of amyloidogenic Aβ (1-40), Aβ (25-35), and bovine calcitonin. J. Biol. Chem. 2001, 276, 2523-2530.
    • (2001) J. Biol. Chem. , vol.276 , pp. 2523-2530
    • Rymer, D.L.1    Good, T.A.2
  • 56
    • 0006057511 scopus 로고
    • Cellular and molecular biology of Aryl hydrocarbon (Ah) receptor-mediated gene expression
    • Safe, S. & K. Krishnan: Cellular and molecular biology of Aryl hydrocarbon (Ah) receptor-mediated gene expression. Arch. Toxicol. 1995, suppl. 17, 116-124.
    • (1995) Arch. Toxicol. , Issue.17 SUPPL. , pp. 116-124
    • Safe, S.1    Krishnan, K.2
  • 57
    • 0024997614 scopus 로고
    • Polychlorinated biphenyls (PCBs), dibenzo-p-dioxins (PCDDs), dibenzofurans (PCDFs) and related compounds: Environmental and mechanistic considerations which support the development of toxic equivalency factors (TEFs)
    • Safe, S.: Polychlorinated biphenyls (PCBs), dibenzo-p-dioxins (PCDDs), dibenzofurans (PCDFs) and related compounds: Environmental and mechanistic considerations which support the development of toxic equivalency factors (TEFs). CRC Crit. Rev. Toxicol. 1990, 21, 51-88.
    • (1990) CRC Crit. Rev. Toxicol. , vol.21 , pp. 51-88
    • Safe, S.1
  • 58
    • 0034021184 scopus 로고    scopus 로고
    • Ah receptor based chemical screening bioassays: Application and limitations for the detection of Ah receptor antagonists
    • Seidel, S. D., V. Li, G. M. Winter, W. J. Rogers, E. I. Martinez & M. S. Denison: Ah receptor based chemical screening bioassays: Application and limitations for the detection of Ah receptor antagonists. Toxicol. Sci. 2000, 55, 107-115.
    • (2000) Toxicol. Sci. , vol.55 , pp. 107-115
    • Seidel, S.D.1    Li, V.2    Winter, G.M.3    Rogers, W.J.4    Martinez, E.I.5    Denison, M.S.6
  • 60
    • 0032446607 scopus 로고    scopus 로고
    • The structural basis of estrogen receptor/ coactivator recognition and the antagonism of this interaction by tamoxifen endogenous estrogen 17β-estradiol (E2) and the synthetic nonsteroidal estrogen diethylstilbestrol (DES)
    • Shiau, A. K., D. Barstad, P. M. Loria, L. Cheng, P. J. Kushner, D. A. Agard & G. L. Greene: The structural basis of estrogen receptor/ coactivator recognition and the antagonism of this interaction by tamoxifen endogenous estrogen 17β-estradiol (E2) and the synthetic nonsteroidal estrogen diethylstilbestrol (DES). Cell 1998, 95, 927-937.
    • (1998) Cell , vol.95 , pp. 927-937
    • Shiau, A.K.1    Barstad, D.2    Loria, P.M.3    Cheng, L.4    Kushner, P.J.5    Agard, D.A.6    Greene, G.L.7
  • 61
    • 0027458138 scopus 로고
    • The Ah-Receptor: Genetics, structure and function
    • Swanson, H. I. & C. A. Bradfield: The Ah-Receptor: Genetics, structure and function. Pharmacogenetics 1993, 3, 213-230.
    • (1993) Pharmacogenetics , vol.3 , pp. 213-230
    • Swanson, H.I.1    Bradfield, C.A.2
  • 62
    • 33748287142 scopus 로고    scopus 로고
    • Swiss National Science Foundation: http://www.nrp50.ch (2001).
    • (2001)
  • 63
    • 0032456884 scopus 로고    scopus 로고
    • Clinically important pharamcokinetic drug-drug interactions: Role of cytochrome P450 enzymes
    • Tanaka, E.: Clinically important pharamcokinetic drug-drug interactions: Role of cytochrome P450 enzymes. J. Clin. Pharm. Therap. 1998, 23, 403-416.
    • (1998) J. Clin. Pharm. Therap. , vol.23 , pp. 403-416
    • Tanaka, E.1
  • 64
    • 0142121263 scopus 로고    scopus 로고
    • Structureactivity relationship approaches and applications
    • Tong, W., W. J. Welsh, L. Shi, H. Fang & R. Perkins: Structureactivity relationship approaches and applications. Env. Tox. Chem. 2003, 22, 1680-1695.
    • (2003) Env. Tox. Chem. , vol.22 , pp. 1680-1695
    • Tong, W.1    Welsh, W.J.2    Shi, L.3    Fang, H.4    Perkins, R.5
  • 65
    • 0015417054 scopus 로고
    • Chance correlations in structureactivity studies using multiple regression analysis
    • Topliss, J. G. & R. J. Costello: Chance correlations in structureactivity studies using multiple regression analysis. J. Med. Chem. 1972, 15, 1066-1068.
    • (1972) J. Med. Chem. , vol.15 , pp. 1066-1068
    • Topliss, J.G.1    Costello, R.J.2
  • 66
    • 0015884712 scopus 로고
    • On model building in structure-activity relationships. A reexamination of adrenergic blocking of b-halob-arlyalkylamines
    • Ungerer, S. H. & C. Hansch: On model building in structure-activity relationships. A reexamination of adrenergic blocking of b-halob- arlyalkylamines. J. Med. Chem. 1973, 16, 745- 749.
    • (1973) J. Med. Chem. , vol.16 , pp. 745-749
    • Ungerer, S.H.1    Hansch, C.2
  • 67
    • 20144363290 scopus 로고    scopus 로고
    • Public Law 104-182 (Section 136)
    • US Government: Safe Drinking Water Act Amendment. Public Law 104-182 (Section 136). See also: http://www.epa.gov.safewater/sdwa/index.html (1996a).
    • (1996) Safe Drinking Water Act Amendment
  • 68
    • 0003726765 scopus 로고    scopus 로고
    • Public Law 104-170 (Section 408)
    • US Government: Food Quality Protection Act. Public Law 104-170 (Section 408). See also: http://www.fda.gov/opacom/laws/foodqual/fqpatoc.htm (1996b).
    • (1996) Food Quality Protection Act
  • 69
    • 27144507066 scopus 로고    scopus 로고
    • Virtual test kits for predicting harmful effects triggered by drugs and chemicals mediated by specific proteins
    • Vedani, A., M. Dobler & M. A. Lill: Virtual test kits for predicting harmful effects triggered by drugs and chemicals mediated by specific proteins. ALTEX 2005d, 22, 123-134.
    • (2005) ALTEX , vol.22 , pp. 123-134
    • Vedani, A.1    Dobler, M.2    Lill, M.A.3
  • 70
    • 24644519508 scopus 로고    scopus 로고
    • In silico prediction of harmful effects triggered by drugs and chemicals
    • Vedani, A., M. Dobler & M. A. Lill: In silico prediction of harmful effects triggered by drugs and chemicals. Toxicol. Appl. Pharmacol. 2005c, 207, 398-407.
    • (2005) Toxicol. Appl. Pharmacol. , vol.207 , pp. 398-407
    • Vedani, A.1    Dobler, M.2    Lill, M.A.3
  • 71
    • 20144371130 scopus 로고    scopus 로고
    • Combining protein modeling and 6D-QSAR - Simulating the binding of structurally diverse ligands to the estrogen receptor
    • Vedani, A., M. Dobler & M. A. Lill: Combining protein modeling and 6D-QSAR - Simulating the binding of structurally diverse ligands to the estrogen receptor. J. Med. Chem. 2005b, 48, 3700-3703.
    • (2005) J. Med. Chem. , vol.48 , pp. 3700-3703
    • Vedani, A.1    Dobler, M.2    Lill, M.A.3
  • 72
    • 14944341046 scopus 로고    scopus 로고
    • Novel ligands for the chemokine receptor-3 (CCR3): A receptor modeling study based on 5D-QSAR
    • Vedani, A., H. Dollinger, K.-M. Hasselbach, M. Dobler & M. A. Lill: Novel ligands for the chemokine receptor-3 (CCR3): A receptor modeling study based on 5D-QSAR. J. Med. Chem. 2005a, 48, 1515-1527.
    • (2005) J. Med. Chem. , vol.48 , pp. 1515-1527
    • Vedani, A.1    Dollinger, H.2    Hasselbach, K.-M.3    Dobler, M.4    Lill, M.A.5
  • 73
    • 0141501481 scopus 로고    scopus 로고
    • Internet laboratory for predicting harmful effects triggered by drugs and chemicals - A progress report
    • Vedani, A. & M. Dobler: Internet laboratory for predicting harmful effects triggered by drugs and chemicals - A progress report. ALTEX 2003, 20, 85-91.
    • (2003) ALTEX , vol.20 , pp. 85-91
    • Vedani, A.1    Dobler, M.2
  • 74
    • 0037161586 scopus 로고    scopus 로고
    • 5D-QSAR: The key for simulating induced fit?
    • Vedani, A. & M. Dobler: 5D-QSAR: The key for simulating induced fit? J. Med. Chem. 2002, 45, 2139-2149.
    • (2002) J. Med. Chem. , vol.45 , pp. 2139-2149
    • Vedani, A.1    Dobler, M.2
  • 75
    • 0035228937 scopus 로고    scopus 로고
    • Internet laboratory for predicting harmful effects triggered by drugs and chemicals
    • Vedani, A. & M. Dobler: Internet laboratory for predicting harmful effects triggered by drugs and chemicals. ALTEX 2001, 18, 110-114.
    • (2001) ALTEX , vol.18 , pp. 110-114
    • Vedani, A.1    Dobler, M.2
  • 76
    • 0034676316 scopus 로고    scopus 로고
    • Multiple conformation and protonation-state representation in 4D-QSAR: The neurokinin-1 receptor system
    • Vedani, A., H. Briem, M. Dobler, K. Dollinger & D. R. McMasters: Multiple conformation and protonation-state representation in 4D-QSAR: The neurokinin-1 receptor system. J. Med. Chem. 2000, 43, 4416-4427.
    • (2000) J. Med. Chem. , vol.43 , pp. 4416-4427
    • Vedani, A.1    Briem, H.2    Dobler, M.3    Dollinger, K.4    McMasters, D.R.5
  • 77
    • 0002630077 scopus 로고    scopus 로고
    • Genetische Algorithmen im 3D-QSAR: Verwendung multipler Wirkstofforientierugen zur verbesserten Voraussage der Toxizität
    • Vedani, A., D. R. McMasters & M. Dobler: Genetische Algorithmen im 3D-QSAR: Verwendung multipler Wirkstofforientierugen zur verbesserten Voraussage der Toxizität. ALTEX 1999, 16, 9-14;
    • (1999) ALTEX , vol.16 , pp. 9-14
    • Vedani, A.1    McMasters, D.R.2    Dobler, M.3
  • 78
    • 0000385379 scopus 로고    scopus 로고
    • ALTEX 1999, 16, 140-143.
    • (1999) ALTEX , vol.16 , pp. 140-143
  • 79
    • 0032513705 scopus 로고    scopus 로고
    • Quasi-atomistic receptor surface models: A bridge between 3-D QSAR and receptor modeling
    • Vedani, A., M. Dobler & P. Zbinden: Quasi-atomistic receptor surface models: A bridge between 3-D QSAR and receptor modeling. J. Amer. Chem. Soc. 1998, 120, 4471-4477.
    • (1998) J. Amer. Chem. Soc. , vol.120 , pp. 4471-4477
    • Vedani, A.1    Dobler, M.2    Zbinden, P.3
  • 80
    • 0011487604 scopus 로고
    • An algorithm for the systematic solvation of proteins based on the directionality of hydrogen bonds
    • Vedani, A. & D. W. Huhta: An algorithm for the systematic solvation of proteins based on the directionality of hydrogen bonds. J. Amer. Chem. Soc. 1991, 113, 5860-5862.
    • (1991) J. Amer. Chem. Soc. , vol.113 , pp. 5860-5862
    • Vedani, A.1    Huhta, D.W.2
  • 81
    • 0025158237 scopus 로고
    • A new force field for modeling metalloproteins
    • Vedani, A. & D. W. Huhta: A new force field for modeling metalloproteins. J. Amer. Chem. Soc. 1990, 112, 4759-4767.
    • (1990) J. Amer. Chem. Soc. , vol.112 , pp. 4759-4767
    • Vedani, A.1    Huhta, D.W.2
  • 82
    • 1842639121 scopus 로고    scopus 로고
    • A comparative QSAR study using CoMFA, HQSAR, and FRED/SKEYS paradigms for estrogen receptor binding af-finities of structurally diverse compounds
    • Waller, C. L.: A comparative QSAR study using CoMFA, HQSAR, and FRED/SKEYS paradigms for estrogen receptor binding af-finities of structurally diverse compounds. J. Chem. Inf. Comput. Sci. 2004, 44, 758-765.
    • (2004) J. Chem. Inf. Comput. Sci. , vol.44 , pp. 758-765
    • Waller, C.L.1
  • 83
    • 0027521742 scopus 로고
    • Mechanistic aspects of dioxin action
    • Whitlock jr., J. P.: Mechanistic aspects of dioxin action. Chem. Res. Toxicol. 1993, 6, 754-763.
    • (1993) Chem. Res. Toxicol. , vol.6 , pp. 754-763
    • Whitlock Jr., J.P.1
  • 84
    • 0037279512 scopus 로고    scopus 로고
    • Role of predictive metabolism and toxicity modeling in drug discovery - A summary of recent advancements
    • Wilson, A. G., A. C. White & R. A. Müller: Role of predictive metabolism and toxicity modeling in drug discovery - A summary of recent advancements. Curr. Opin. Drug Discov. Devel. 2003, 6, 123-128.
    • (2003) Curr. Opin. Drug Discov. Devel. , vol.6 , pp. 123-128
    • Wilson, A.G.1    White, A.C.2    Müller, R.A.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.