메뉴 건너뛰기




Volumn 16, Issue 1-2, 2005, Pages 79-91

3D QSAR investigation of the blood-brain barrier penetration of chemical compounds

Author keywords

3D QSAR; Blood brain barrier; Imipramine; Phenothiazine

Indexed keywords

BLOOD; COMPUTATIONAL CHEMISTRY; GLYCOPROTEINS; HYDROPHOBICITY; INSECTICIDES; PHOSPHOLIPIDS;

EID: 18244374478     PISSN: 1062936X     EISSN: 1029046X     Source Type: Journal    
DOI: 10.1080/10629360412331319817     Document Type: Conference Paper
Times cited : (8)

References (17)
  • 1
    • 0029655680 scopus 로고    scopus 로고
    • Membrane interactions of some catamphiphilic drugs and relation to their multidrug resistance reversing ability
    • Pajeva, I.K., Wiese, M., Cordes, H.P. and Seydel, J.K. (1996) "Membrane interactions of some catamphiphilic drugs and relation to their multidrug resistance reversing ability", J. Cancer Res. Clin. Oncol. 122, 27-40.
    • (1996) J. Cancer Res. Clin. Oncol. , vol.122 , pp. 27-40
    • Pajeva, I.K.1    Wiese, M.2    Cordes, H.P.3    Seydel, J.K.4
  • 2
    • 0024534226 scopus 로고
    • Structural features determining activity of phenothiazines and related drugs for inhibition of cell growth and reversal of multidrug resistance
    • Ford, J.M., Prozialeck, W.C. and Hait, W.N. (1989) "Structural features determining activity of phenothiazines and related drugs for inhibition of cell growth and reversal of multidrug resistance", Mol. Pharmacol. 35, 105-115.
    • (1989) Mol. Pharmacol. , vol.35 , pp. 105-115
    • Ford, J.M.1    Prozialeck, W.C.2    Hait, W.N.3
  • 3
    • 0026624915 scopus 로고
    • Reversal of multidrug resistance by phenothiazines and structurally related compounds
    • Ramu, A. and Ramu, N. (1992) "Reversal of multidrug resistance by phenothiazines and structurally related compounds", Cancer Chemother. Pharmacol. 30, 165-173.
    • (1992) Cancer Chemother. Pharmacol. , vol.30 , pp. 165-173
    • Ramu, A.1    Ramu, N.2
  • 4
    • 0032554868 scopus 로고    scopus 로고
    • Molecular modelling of phenothiazines and related drugs as multidrug resistance modifiers: A comparative molecular field analysis study
    • Pajeva, I.K. and Wiese, M. (1998) "Molecular modelling of phenothiazines and related drugs as multidrug resistance modifiers: a comparative molecular field analysis study", J. Med. Chem. 41, 1815-1826.
    • (1998) J. Med. Chem. , vol.41 , pp. 1815-1826
    • Pajeva, I.K.1    Wiese, M.2
  • 5
    • 0035047222 scopus 로고    scopus 로고
    • Structure-activity relationships of multidrug resistance reversers
    • Wiese, M. and Pajeva, I.K. (2001) "Structure-activity relationships of multidrug resistance reversers", Curr. Med. Chem. 8, 685-713.
    • (2001) Curr. Med. Chem. , vol.8 , pp. 685-713
    • Wiese, M.1    Pajeva, I.K.2
  • 6
    • 0035440324 scopus 로고    scopus 로고
    • Correlation and prediction of a large blood-brain distribution data set-an LFER study
    • Platts, J.A., Abraham, M.H., Zhao, Y.H., Hersey, A., Ijaz, L. and Butina, D. (2001) "Correlation and prediction of a large blood-brain distribution data set-an LFER study", Eur. J. Med. Chem. 36, 719-730.
    • (2001) Eur. J. Med. Chem. , vol.36 , pp. 719-730
    • Platts, J.A.1    Abraham, M.H.2    Zhao, Y.H.3    Hersey, A.4    Ijaz, L.5    Butina, D.6
  • 7
    • 0003797555 scopus 로고    scopus 로고
    • Tripos Inc., 1699 South Hanley Road, St. Louis, MO 63144-2917
    • SYBYL, version 6.8, Tripos Inc., 1699 South Hanley Road, St. Louis, MO 63144-2917.
    • SYBYL, Version 6.8
  • 8
    • 0003845932 scopus 로고    scopus 로고
    • QCPE, Department of Chemistry, Indiana University, Bloomington, IN 47405
    • MOPAC, version 6.0, QCPE, Department of Chemistry, Indiana University, Bloomington, IN 47405.
    • MOPAC, Version 6.0
  • 10
    • 85195085205 scopus 로고    scopus 로고
    • Advanced Chemistry Development Inc., Toronto, ON, Canada
    • Advanced Chemistry Development Inc., Toronto, ON, Canada, http://www.acdlabs.com
  • 11
    • 85195074458 scopus 로고    scopus 로고
    • Accelrys Inc.
    • Tsar 3D, version 3.3, Accelrys Inc., http://www.accelrys.com
    • Tsar 3D, Version 3.3
  • 12
    • 85195053011 scopus 로고    scopus 로고
    • Novartis Pharma AG, ChemInformatics, CH-4002, Basel, Switzerland
    • Novartis Pharma AG, ChemInformatics, CH-4002, Basel, Switzerland, http://www.daylight.com/meetings/emug00/Ert1/tpsa.html
  • 13
  • 14
    • 85195072041 scopus 로고    scopus 로고
    • Cambridge Crystallographic Data Centre, 12, Union Road, Cambridge, UK,CB2 1EZ
    • Cambridge Crystallographic Data Centre, 12, Union Road, Cambridge, UK,CB2 1EZ.
  • 15
    • 0032410164 scopus 로고    scopus 로고
    • Estimation of blood-brain barrier crossing of drugs using molecular size and shape, and H-bonding descriptors
    • Van de Waterbeemd, H., Camenisch, G., Folkers, G., Chretien, J.R. and Raevsky, O.A. (1998) "Estimation of blood-brain barrier crossing of drugs using molecular size and shape, and H-bonding descriptors", J. Drug Target. 6, 151-165.
    • (1998) J. Drug Target. , vol.6 , pp. 151-165
    • Van De Waterbeemd, H.1    Camenisch, G.2    Folkers, G.3    Chretien, J.R.4    Raevsky, O.A.5
  • 16
    • 0034713376 scopus 로고    scopus 로고
    • A simple model for the prediction of blood-brain partitioning
    • Feher, M., Sourial, E. and Schmidt, J.M. (2000) "A simple model for the prediction of blood-brain partitioning". Int. J. Pharm. 201, 239-247.
    • (2000) Int. J. Pharm. , vol.201 , pp. 239-247
    • Feher, M.1    Sourial, E.2    Schmidt, J.M.3
  • 17
    • 0032518454 scopus 로고    scopus 로고
    • A general pattern for substrate recognition by P-glycoprotein
    • Seelig, A. (1998) "A general pattern for substrate recognition by P-glycoprotein", Eur. J. Biochem. 251, 252-261.
    • (1998) Eur. J. Biochem. , vol.251 , pp. 252-261
    • Seelig, A.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.