메뉴 건너뛰기




Volumn 50, Issue 4, 2007, Pages 742-748

In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities

Author keywords

[No Author keywords available]

Indexed keywords

COSMETIC; TOXIC SUBSTANCE;

EID: 33847416530     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm0611105     Document Type: Article
Times cited : (33)

References (33)
  • 1
    • 33745642435 scopus 로고    scopus 로고
    • Parallel artificial membrane permeability assay: A new membrane for the fast prediction of passive human skin permeability
    • Ottaviani, G.; Martel, S.; Carrupt, P. A. Parallel artificial membrane permeability assay: A new membrane for the fast prediction of passive human skin permeability. J. Med. Chem. 2006, 49, 3948-3954.
    • (2006) J. Med. Chem , vol.49 , pp. 3948-3954
    • Ottaviani, G.1    Martel, S.2    Carrupt, P.A.3
  • 2
    • 0034625096 scopus 로고    scopus 로고
    • Molecular fields in quantitative structure permeation relationships: The VolSurf approach
    • Cruciani, G.; Crivori, P.; Carrupt, P. A.; Testa, B. Molecular fields in quantitative structure permeation relationships: The VolSurf approach. J. Mol. Struct.: THEOCHEM 2000, 503, 17-30.
    • (2000) J. Mol. Struct.: THEOCHEM , vol.503 , pp. 17-30
    • Cruciani, G.1    Crivori, P.2    Carrupt, P.A.3    Testa, B.4
  • 3
    • 0026606514 scopus 로고
    • Predicting skin permeability
    • Potts, R. O.; Guy, R. H. Predicting skin permeability. Pharm. Res. 1992, 9, 663-669.
    • (1992) Pharm. Res , vol.9 , pp. 663-669
    • Potts, R.O.1    Guy, R.H.2
  • 4
    • 0037426686 scopus 로고    scopus 로고
    • Modeling skin permeability to hydrophilic and hydrophobic solutes based on four permeation pathways
    • Mitragotri, S. Modeling skin permeability to hydrophilic and hydrophobic solutes based on four permeation pathways. J. Controlled Release 2003, 86, 69-92.
    • (2003) J. Controlled Release , vol.86 , pp. 69-92
    • Mitragotri, S.1
  • 5
    • 0029027865 scopus 로고
    • The effect of temperature upon the permeation of polar and ionic solutes through human epidermal membrane
    • Peck, K. D.; Ghanem, A. H.; Higuchi, W. I. The effect of temperature upon the permeation of polar and ionic solutes through human epidermal membrane. J. Pharm. Sci. 1985, 84, 975-962.
    • (1985) J. Pharm. Sci , vol.84 , pp. 975-962
    • Peck, K.D.1    Ghanem, A.H.2    Higuchi, W.I.3
  • 6
    • 4344563061 scopus 로고    scopus 로고
    • Porcine ear skin as a model for the assessment of transdermal drug delivery to premature neonates
    • Sekkat, N.; Kalia, Y. N.; Guy, R. H. Porcine ear skin as a model for the assessment of transdermal drug delivery to premature neonates. Pharm. Res. 2004, 21, 1390-1397.
    • (2004) Pharm. Res , vol.21 , pp. 1390-1397
    • Sekkat, N.1    Kalia, Y.N.2    Guy, R.H.3
  • 7
    • 0002584744 scopus 로고
    • Physicochemical determinants of skin absorption
    • Gerrity, T. R, Henry, C. J, Eds, Elsevier: Amsterdam
    • Flynn, G. L. Physicochemical determinants of skin absorption. In Principles of Route-to-Route Extrapolation for Risk Assessment; Gerrity, T. R., Henry, C. J., Eds.; Elsevier: Amsterdam, 1990; pp 93-127.
    • (1990) Principles of Route-to-Route Extrapolation for Risk Assessment , pp. 93-127
    • Flynn, G.L.1
  • 8
    • 0036096659 scopus 로고    scopus 로고
    • Quantitative structure-permeability relationships (QSPRs) for percutaneous absorption
    • Moss, G. P.; Dearden, J. C.; Patel, H.; Cronin, M. T. D. Quantitative structure-permeability relationships (QSPRs) for percutaneous absorption. Toxicol. in Vitro 2002, 16, 299-317.
    • (2002) Toxicol. in Vitro , vol.16 , pp. 299-317
    • Moss, G.P.1    Dearden, J.C.2    Patel, H.3    Cronin, M.T.D.4
  • 9
    • 1642579652 scopus 로고    scopus 로고
    • Quantitative structure-permeation relationships (QSPeRs) to predict skin permeation: A critical review
    • Geinoz, S.; Guy, R. H.; Carrupt, P. A.; Testa, B. Quantitative structure-permeation relationships (QSPeRs) to predict skin permeation: A critical review. Pharm. Res. 2004, 21, 83-92.
    • (2004) Pharm. Res , vol.21 , pp. 83-92
    • Geinoz, S.1    Guy, R.H.2    Carrupt, P.A.3    Testa, B.4
  • 10
    • 0031889726 scopus 로고    scopus 로고
    • An investigation of the mechanism of flux across polymethylsiloxane membranes by use of quantitative structure-permeability relationships
    • Cronin, M. T. D.; Dearden, J. C.; Gupta, R.; Moss, G. P. An investigation of the mechanism of flux across polymethylsiloxane membranes by use of quantitative structure-permeability relationships. J. Pharm. Pharmacol. 1998, 50, 143-152.
    • (1998) J. Pharm. Pharmacol , vol.50 , pp. 143-152
    • Cronin, M.T.D.1    Dearden, J.C.2    Gupta, R.3    Moss, G.P.4
  • 12
    • 0041573625 scopus 로고
    • Linear solvation energy relationships. 23. A comprehensive collection of the solvatochromic parameters, π*, α, and β some methods for simplifying the generalized solvatochromic equation
    • Kamlet, M. J.; Abboud, J. L. M.; Abraham, M. H.; Taft, R. W. Linear solvation energy relationships. 23. A comprehensive collection of the solvatochromic parameters, π*, α, and β some methods for simplifying the generalized solvatochromic equation. J. Org. Chem. 1983, 48, 2877-2887.
    • (1983) J. Org. Chem , vol.48 , pp. 2877-2887
    • Kamlet, M.J.1    Abboud, J.L.M.2    Abraham, M.H.3    Taft, R.W.4
  • 13
    • 2642536968 scopus 로고    scopus 로고
    • Human skin permeation and partition: General linear free-energy relationship analyses
    • Abraham, M. H.; Martins, F. Human skin permeation and partition: General linear free-energy relationship analyses. J. Pharm. Sci. 2004, 93, 1508-1523.
    • (2004) J. Pharm. Sci , vol.93 , pp. 1508-1523
    • Abraham, M.H.1    Martins, F.2
  • 14
    • 0034950243 scopus 로고    scopus 로고
    • Synthesis, in vitro skin permeation studies, and PLS-analysis of new naproxen derivatives
    • Weber, H.; Steimer, U.; Mannhold, R.; Cruciani, G. Synthesis, in vitro skin permeation studies, and PLS-analysis of new naproxen derivatives. Pharm. Res. 2001, 18, 600-607.
    • (2001) Pharm. Res , vol.18 , pp. 600-607
    • Weber, H.1    Steimer, U.2    Mannhold, R.3    Cruciani, G.4
  • 15
    • 0028411658 scopus 로고
    • Molecular lipophilicity potential, a tool in 3D-QSAR. Method and applications
    • Gaillard, P.; Carrupt, P. A.; Testa, B.; Boudon, A. Molecular lipophilicity potential, a tool in 3D-QSAR. Method and applications. J. Comput.-Aided Mol. Design 1994, 8, 83-96.
    • (1994) J. Comput.-Aided Mol. Design , vol.8 , pp. 83-96
    • Gaillard, P.1    Carrupt, P.A.2    Testa, B.3    Boudon, A.4
  • 16
    • 0034851801 scopus 로고    scopus 로고
    • Development of molecular hydrogen bonding potentials (MHBPs) and their application to structure permeation relations
    • Rey, S.; Caron, G.; Ermondi, G.; Gaillard, P.; Pagliara, A.; Carrupt, P. A.; Testa, B. Development of molecular hydrogen bonding potentials (MHBPs) and their application to structure permeation relations. J. Mol. Graphics Modell. 2001, 19, 521-535.
    • (2001) J. Mol. Graphics Modell , vol.19 , pp. 521-535
    • Rey, S.1    Caron, G.2    Ermondi, G.3    Gaillard, P.4    Pagliara, A.5    Carrupt, P.A.6    Testa, B.7
  • 17
    • 0021871375 scopus 로고
    • A computational procedure for determining energetically favorable binding sites on biologically important macromolecules
    • Goodford, P. J. A computational procedure for determining energetically favorable binding sites on biologically important macromolecules. J. Med. Chem. 1985, 28, 849-857.
    • (1985) J. Med. Chem , vol.28 , pp. 849-857
    • Goodford, P.J.1
  • 18
    • 33845279234 scopus 로고    scopus 로고
    • Kamlet, M. J.; Doherty, R. M.; Abraham, M. H.; Marcus, Y.; Taft, R. W. Linear solvation energy relationships. 46. An improved equation for correlation and prediction of octanol/water partition coefficients of organic nonelectrolytes (including strong hydrogen bond donor solutes). J. Phys. Chem. 1988, 92, 5244-5255.
    • Kamlet, M. J.; Doherty, R. M.; Abraham, M. H.; Marcus, Y.; Taft, R. W. Linear solvation energy relationships. 46. An improved equation for correlation and prediction of octanol/water partition coefficients of organic nonelectrolytes (including strong hydrogen bond donor solutes). J. Phys. Chem. 1988, 92, 5244-5255.
  • 20
    • 0029618807 scopus 로고
    • A predictive algorithm for skin permeability: The effects of molecular size and hydrogen bond activity
    • Potts, R. O.; Guy, R. H. A predictive algorithm for skin permeability: The effects of molecular size and hydrogen bond activity. Pharm. Res. 1995, 12, 1628-1633.
    • (1995) Pharm. Res , vol.12 , pp. 1628-1633
    • Potts, R.O.1    Guy, R.H.2
  • 21
    • 75549096754 scopus 로고
    • Existence of reservoir in the stratum corneum-experimental proof
    • Vickers, C. F. H. Existence of reservoir in the stratum corneum-experimental proof. Arch. Dermatol. 1963, 88, 20-33.
    • (1963) Arch. Dermatol , vol.88 , pp. 20-33
    • Vickers, C.F.H.1
  • 22
    • 17144370244 scopus 로고    scopus 로고
    • Reservoir function of the stratum corneum: Development of an in vivo method to quantitatively determine the stratum corneum reservoir for topically applied substances
    • Teichmann, A.; Jacobi, U.; Weigmann, H.-J.; Sterry, W.; Lademann, J. Reservoir function of the stratum corneum: development of an in vivo method to quantitatively determine the stratum corneum reservoir for topically applied substances. Skin Pharmacol. Physiol. 2004, 18, 75-80.
    • (2004) Skin Pharmacol. Physiol , vol.18 , pp. 75-80
    • Teichmann, A.1    Jacobi, U.2    Weigmann, H.-J.3    Sterry, W.4    Lademann, J.5
  • 23
    • 11144304132 scopus 로고    scopus 로고
    • Ranking of hair dye substances according to predicted sensitization potency: Quantitative structure-activity relationships
    • Sosted, H.; Basketter, D. A.; Estrada, E.; Johansen, J. D.; Patlewicz, G. Y. Ranking of hair dye substances according to predicted sensitization potency: Quantitative structure-activity relationships. Contact Dermatitis 2004, 51, 241-254.
    • (2004) Contact Dermatitis , vol.51 , pp. 241-254
    • Sosted, H.1    Basketter, D.A.2    Estrada, E.3    Johansen, J.D.4    Patlewicz, G.Y.5
  • 25
    • 0034778663 scopus 로고    scopus 로고
    • Drug absorption in vitro model: Filter-immobilized artificial membranes. Studies of the permeability properties of lactones in piper methysticum forst
    • Avdeef, A.; Strafford, M.; Block, E.; Balogh, M. P.; Chambliss, W.; Khan, I. Drug absorption in vitro model: Filter-immobilized artificial membranes. Studies of the permeability properties of lactones in piper methysticum forst. Eur. J. Pharm. Sci. 2001, 14, 271-280.
    • (2001) Eur. J. Pharm. Sci , vol.14 , pp. 271-280
    • Avdeef, A.1    Strafford, M.2    Block, E.3    Balogh, M.P.4    Chambliss, W.5    Khan, I.6
  • 26
    • 33847350933 scopus 로고    scopus 로고
    • The Volsurf approach in structure-permeation relationships: Molecular interaction fields focused on specific intermolecular interactions
    • submitted for publication
    • Bajot, F.; Geinoz, S.; Rey, S.; Cruciani, G.; Guy, R. H.; Carrupt, P. A. The Volsurf approach in structure-permeation relationships: Molecular interaction fields focused on specific intermolecular interactions. J. Mol. Graphics Modell. 2007, submitted for publication.
    • (2007) J. Mol. Graphics Modell
    • Bajot, F.1    Geinoz, S.2    Rey, S.3    Cruciani, G.4    Guy, R.H.5    Carrupt, P.A.6
  • 27
    • 0037178110 scopus 로고    scopus 로고
    • The solute-solvent system: Solvent constraints on the conformational dynamics of acetylcholine
    • Vistoli, G.; Pedretti, A.; Villa, L.; Testa, B. The solute-solvent system: Solvent constraints on the conformational dynamics of acetylcholine. J. Am. Chem. Soc. 2002, 124, 7472-7480.
    • (2002) J. Am. Chem. Soc , vol.124 , pp. 7472-7480
    • Vistoli, G.1    Pedretti, A.2    Villa, L.3    Testa, B.4
  • 28
    • 0029070955 scopus 로고
    • A mechanistic study of ultrasonically-enhanced transdermal drug delivery
    • Mitragotri, S.; Edwards, D. A.; Blankstein, D.; Langer, R. A mechanistic study of ultrasonically-enhanced transdermal drug delivery. J. Pharm. Sci. 1995, 84, 697-706.
    • (1995) J. Pharm. Sci , vol.84 , pp. 697-706
    • Mitragotri, S.1    Edwards, D.A.2    Blankstein, D.3    Langer, R.4
  • 29
  • 30
    • 0030886388 scopus 로고    scopus 로고
    • Evaluation of solute permeation through the stratum corneum: Lateral bilayer diffusion as the primary transport mechanism
    • Johnson, M. E.; Blankstein, D.; Langer, R. Evaluation of solute permeation through the stratum corneum: Lateral bilayer diffusion as the primary transport mechanism. J. Pharm. Sci. 1997, 86, 1162-1172.
    • (1997) J. Pharm. Sci , vol.86 , pp. 1162-1172
    • Johnson, M.E.1    Blankstein, D.2    Langer, R.3
  • 31
    • 0030056826 scopus 로고    scopus 로고
    • Synergistic effects of chemical enhancers and therapeutic ultrasound on transdermal drug delivery
    • Johnson, M. E.; Mitragotri, S.; Patel, A.; Blankschtein, D.; Langer, R. Synergistic effects of chemical enhancers and therapeutic ultrasound on transdermal drug delivery. J. Pharm. Sci. 1996, 85, 670-679.
    • (1996) J. Pharm. Sci , vol.85 , pp. 670-679
    • Johnson, M.E.1    Mitragotri, S.2    Patel, A.3    Blankschtein, D.4    Langer, R.5
  • 33
    • 0021203941 scopus 로고
    • Percutaneous absorption of hair dyes: Correlation with partition coefficients
    • Bronaugh, R. L.; Congdon, E. R. Percutaneous absorption of hair dyes: Correlation with partition coefficients. J. Invest. Dermatol. 1984, 83, 124-127.
    • (1984) J. Invest. Dermatol , vol.83 , pp. 124-127
    • Bronaugh, R.L.1    Congdon, E.R.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.