메뉴 건너뛰기




Volumn 33, Issue 7, 2005, Pages 873-878

Three-dimensional quantitative structure-activity relationship analysis of cytochromes P450: Effect of incorporating higher-affinity ligands and potential new applications

Author keywords

[No Author keywords available]

Indexed keywords

AMITRIPTYLINE; BARBITURIC ACID DERIVATIVE; BENZBROMARONE; CLOZAPINE; CYTOCHROME P450 2C19; CYTOCHROME P450 2C9; DAPSONE; DEXTROMETHORPHAN; DIAZEPAM; DICLOFENAC; FLURBIPROFEN; HEXOBARBITAL; HYDANTOIN DERIVATIVE; IBUPROFEN; ISOXICAM; MEPHENYTOIN; MESTRANOL; MIDAZOLAM; NANOPARTICLE; NAPROXEN; NONSTEROID ANTIINFLAMMATORY AGENT; PHENACETIN; PHENOBARBITAL; PHENYTOIN; SULFAPHENAZOLE; SULFONAMIDE; TENOXICAM; TESTOSTERONE; TOLBUTAMIDE; UNINDEXED DRUG; WARFARIN;

EID: 22344436138     PISSN: 00909556     EISSN: 1521009X     Source Type: Journal    
DOI: 10.1124/dmd.105.004325     Document Type: Short Survey
Times cited : (22)

References (20)
  • 2
    • 1842428730 scopus 로고    scopus 로고
    • Differential roles of Arg97, Asp293 and Arg108 in enzyme stability and substrate specificity of CYP2C9
    • Dickmann LJ, Locuson CW, Jones JP, and Rettie AE (2004) Differential roles of Arg97, Asp293 and Arg108 in enzyme stability and substrate specificity of CYP2C9. Mol Pharmacol 65:842-850.
    • (2004) Mol Pharmacol , vol.65 , pp. 842-850
    • Dickmann, L.J.1    Locuson, C.W.2    Jones, J.P.3    Rettie, A.E.4
  • 4
    • 0034962557 scopus 로고    scopus 로고
    • Pharmacophore and three-dimensional quantitative structure activity relationship methods for modeling cytochrome P450 active sites
    • Ekins S, de Groot MJ, and Jones JP (2001) Pharmacophore and three-dimensional quantitative structure activity relationship methods for modeling cytochrome P450 active sites. Drug Metab Dispos 29:936-944.
    • (2001) Drug Metab Dispos , vol.29 , pp. 936-944
    • Ekins, S.1    De Groot, M.J.2    Jones, J.P.3
  • 5
    • 0242301182 scopus 로고    scopus 로고
    • Ligand-supported homology modelling of protein binding-sites using knowledge-based potentials
    • Evers A, Gohlke H, and Klebe G (2003) Ligand-supported homology modelling of protein binding-sites using knowledge-based potentials. J Mol Biol 334:327-345.
    • (2003) J Mol Biol , vol.334 , pp. 327-345
    • Evers, A.1    Gohlke, H.2    Klebe, G.3
  • 7
    • 2642518851 scopus 로고    scopus 로고
    • Quantitative binding models for CYP2C9 based on benzbromarone analogues
    • Locuson CW, Rock DA, and Jones JP (2004a) Quantitative binding models for CYP2C9 based on benzbromarone analogues. Biochemistry 43:6948-6958.
    • (2004) Biochemistry , vol.43 , pp. 6948-6958
    • Locuson, C.W.1    Rock, D.A.2    Jones, J.P.3
  • 8
    • 11144223711 scopus 로고    scopus 로고
    • Charge and substituent effects on affinity and metabolism of benzbromarone-based CYP2C19 inhibitors
    • Locuson CW, Suzuki H, Rettie AE, and Jones JP (2004b) Charge and substituent effects on affinity and metabolism of benzbromarone-based CYP2C19 inhibitors. J Med Chem 47:6768-6776.
    • (2004) J Med Chem , vol.47 , pp. 6768-6776
    • Locuson, C.W.1    Suzuki, H.2    Rettie, A.E.3    Jones, J.P.4
  • 9
    • 0037636387 scopus 로고    scopus 로고
    • A new class of CYP2C9 inhibitors: Probing 2C9 specificity with high-affinity benzbromarone derivatives
    • Locuson CW, Wahlstrom JL, Rock DA, Rock DA, and Jones JP (2003) A new class of CYP2C9 inhibitors: probing 2C9 specificity with high-affinity benzbromarone derivatives. Drug Metab Dispos 31:967-971.
    • (2003) Drug Metab Dispos , vol.31 , pp. 967-971
    • Locuson, C.W.1    Wahlstrom, J.L.2    Rock, D.A.3    Rock, D.A.4    Jones, J.P.5
  • 11
    • 4644275807 scopus 로고    scopus 로고
    • Mechanism of oxidation reactions catalyzed by cytochrome P450 enzymes
    • Meunier B, de Visser SP, and Shaik S (2004) Mechanism of oxidation reactions catalyzed by cytochrome P450 enzymes. Chem Rev 104:3947-3980.
    • (2004) Chem Rev , vol.104 , pp. 3947-3980
    • Meunier, B.1    De Visser, S.P.2    Shaik, S.3
  • 12
    • 0034721138 scopus 로고    scopus 로고
    • A refined 3-dimensional QSAR of cytochrome P450 2C9: Computational predictions of drug interactions
    • Rao S, Aoyama R, Schrag M, Trager WF, Rettie A, and Jones JP (2000) A refined 3-dimensional QSAR of cytochrome P450 2C9: computational predictions of drug interactions. J Med Chem 43:2789-2796.
    • (2000) J Med Chem , vol.43 , pp. 2789-2796
    • Rao, S.1    Aoyama, R.2    Schrag, M.3    Trager, W.F.4    Rettie, A.5    Jones, J.P.6
  • 14
    • 6044244849 scopus 로고    scopus 로고
    • A comparison of methods for modeling quantitative structure-activity relationships
    • Sutherland JJ, O'Brien LA, and Weaver DF (2004) A comparison of methods for modeling quantitative structure-activity relationships. J Med Chem 47:5541-5554.
    • (2004) J Med Chem , vol.47 , pp. 5541-5554
    • Sutherland, J.J.1    O'Brien, L.A.2    Weaver, D.F.3
  • 15
    • 0036179579 scopus 로고    scopus 로고
    • (+)-N-3-Benzyl-nirvanol and (-)-N-3-benzyl-phenobarbital: New potent and selective in vitro inhibitors of CYP2C19
    • Suzuki H, Kneller MB, Haining RL, Trager WF, and Rettie AE (2002) (+)-N-3-Benzyl-nirvanol and (-)-N-3-benzyl-phenobarbital: new potent and selective in vitro inhibitors of CYP2C19. Drug Metab Dispos 30:235-239.
    • (2002) Drug Metab Dispos , vol.30 , pp. 235-239
    • Suzuki, H.1    Kneller, M.B.2    Haining, R.L.3    Trager, W.F.4    Rettie, A.E.5
  • 18
    • 0037413558 scopus 로고    scopus 로고
    • Homology modeling of rat and human cytochrome P450 2D (CYP2D) isoforms and computational rationalization of experimental ligand-binding specificities
    • Venhorst J, ter Laak AM, Commandeur JN, Funae Y, Hiroi T, and Vermeulen NP (2003) Homology modeling of rat and human cytochrome P450 2D (CYP2D) isoforms and computational rationalization of experimental ligand-binding specificities. J Med Chem 46:74-86.
    • (2003) J Med Chem , vol.46 , pp. 74-86
    • Venhorst, J.1    Ter Laak, A.M.2    Commandeur, J.N.3    Funae, Y.4    Hiroi, T.5    Vermeulen, N.P.6


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.