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Volumn 42, Issue 6, 1999, Pages 992-998

Diversity analysis of 14 156 molecules tested by the National Cancer Institute for anti-HIV activity using the quantitative structure-activity relational expert system MCASE

Author keywords

[No Author keywords available]

Indexed keywords

PROTEINASE INHIBITOR; RNA DIRECTED DNA POLYMERASE INHIBITOR;

EID: 0033602543     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm980451i     Document Type: Article
Times cited : (36)

References (36)
  • 1
    • 0031443171 scopus 로고    scopus 로고
    • Nonsymmetrically substituted cyclic urea HIV protease inhibitors
    • Wilkerson, W. W.; Dax, S.; Cheatham, W. W. Nonsymmetrically substituted cyclic urea HIV protease inhibitors. J. Med. Chem. 1997, 40, 4079-4088.
    • (1997) J. Med. Chem. , vol.40 , pp. 4079-4088
    • Wilkerson, W.W.1    Dax, S.2    Cheatham, W.W.3
  • 2
    • 0000919589 scopus 로고    scopus 로고
    • Effects of entropy of QSAR equations for HIV-1 protease: 1. Using hydropathic binding descriptors: 2. Unrestrained complex structure optimizations
    • Wei, D. T.; Meadows, J. C.; Kellogg, G. E. Effects of entropy of QSAR equations for HIV-1 protease: 1. Using hydropathic binding descriptors: 2. Unrestrained complex structure optimizations. Med. Chem. Res. 1997, 7, 259-270.
    • (1997) Med. Chem. Res. , vol.7 , pp. 259-270
    • Wei, D.T.1    Meadows, J.C.2    Kellogg, G.E.3
  • 4
    • 0030583586 scopus 로고    scopus 로고
    • Triterpenes as potential dimerization inhibitors of HIV-1 protease
    • Quere, L.; Wenger, T.; Schramm, H. J. Triterpenes as potential dimerization inhibitors of HIV-1 protease. Biochem. Biophys. Res. Commun. 1996, 227, 484-488.
    • (1996) Biochem. Biophys. Res. Commun. , vol.227 , pp. 484-488
    • Quere, L.1    Wenger, T.2    Schramm, H.J.3
  • 6
    • 0029984203 scopus 로고    scopus 로고
    • Discovery of novel, non-peptide HIV-1 protease inhibitirs by pharmacophore searching
    • Wang, S.; Milne, G. W. A.; Yan, X.; Posey, I. J.; Nicklaus, M. C.; Graham, L.; Rice, W. G. Discovery of novel, non-peptide HIV-1 protease inhibitirs by pharmacophore searching. J. Med. Chem. 1996, 39, 2047-2054.
    • (1996) J. Med. Chem. , vol.39 , pp. 2047-2054
    • Wang, S.1    Milne, G.W.A.2    Yan, X.3    Posey, I.J.4    Nicklaus, M.C.5    Graham, L.6    Rice, W.G.7
  • 7
    • 0028362672 scopus 로고
    • Three-dimensional pharmacophores from binding data
    • Doweyko, A. M. Three-dimensional pharmacophores from binding data. J. Med. Chem. 1994, 37, 1769-1778.
    • (1994) J. Med. Chem. , vol.37 , pp. 1769-1778
    • Doweyko, A.M.1
  • 8
    • 0027762073 scopus 로고
    • Three-dimensional QSAR of human immunodeficiency virus (I) protease inhibitors. 1. A CoMFA study employing experimentally determined alignment rules
    • Waller, C. L.; Oprea, T. I.; Giolitti, A.; Marshall, G. R. Three-dimensional QSAR of human immunodeficiency virus (I) protease inhibitors. 1. A CoMFA study employing experimentally determined alignment rules. J. Med. Chem. 1993, 36, 4152-4160.
    • (1993) J. Med. Chem. , vol.36 , pp. 4152-4160
    • Waller, C.L.1    Oprea, T.I.2    Giolitti, A.3    Marshall, G.R.4
  • 9
    • 0028237444 scopus 로고
    • Three-dimensional quantitative structure-activity relationship of human immunodeficiency virus (I) protease inhibitors: 2. Predictive power using limited exploration of alternate binding modes
    • Oprea, T. I.; Waller, C. L.; Marshall, G. R. Three-dimensional quantitative structure-activity relationship of human immunodeficiency virus (I) protease inhibitors: 2. Predictive power using limited exploration of alternate binding modes. J. Med. Chem. 1994, 37, 2206-2215.
    • (1994) J. Med. Chem. , vol.37 , pp. 2206-2215
    • Oprea, T.I.1    Waller, C.L.2    Marshall, G.R.3
  • 10
    • 0030980898 scopus 로고    scopus 로고
    • A QSAR study confirming the heterogeneity of the HEPT derivative series regarding their interaction with HIV reverse transcriptase
    • Tronchet, J. M. J.; Grigorov, M.; Dolatshahi, N.; Moriaud, F.; Weber, J. A QSAR study confirming the heterogeneity of the HEPT derivative series regarding their interaction with HIV reverse transcriptase. Eur. J. Med. Chem. 1997, 32, 279-299.
    • (1997) Eur. J. Med. Chem. , vol.32 , pp. 279-299
    • Tronchet, J.M.J.1    Grigorov, M.2    Dolatshahi, N.3    Moriaud, F.4    Weber, J.5
  • 11
  • 12
    • 0029837163 scopus 로고    scopus 로고
    • Comparative molecular field analysis of HIV-1 reverse transcriptase inhibitors in the class of 1(2-hydroxyethoxy)-methyl-6-(phenylthio)thymine
    • Hannongbua, S.; Lawtrakul, L.; Sotriffer, C. A.; Rode, B. M. Comparative molecular field analysis of HIV-1 reverse transcriptase inhibitors in the class of 1(2-Hydroxyethoxy)-methyl)-6-(phenylthio)thymine. Quant. Struct.-Act. Relat. 1996, 15, 389-394.
    • (1996) Quant. Struct.-Act. Relat. , vol.15 , pp. 389-394
    • Hannongbua, S.1    Lawtrakul, L.2    Sotriffer, C.A.3    Rode, B.M.4
  • 13
    • 0029069696 scopus 로고
    • Molecular modeling and quantitative structure-activity studies of anti-HIV-1 2-heteroarylquinoline-4-amines
    • Kireev, D. B.; Chretien, J. R.; Raevsky, O. A. Molecular modeling and quantitative structure-activity studies of anti-HIV-1 2-heteroarylquinoline-4-amines. Eur. J. Pharmacol. 1995, 30, 395-402.
    • (1995) Eur. J. Pharmacol. , vol.30 , pp. 395-402
    • Kireev, D.B.1    Chretien, J.R.2    Raevsky, O.A.3
  • 15
    • 0031449527 scopus 로고    scopus 로고
    • A 3D QSAR study of a series of HEPT analogues: The influence of conformational mobility on HIV-1 reverse transcriptase inhibition
    • Kireev, D. B.; Chretien, J. R.; Grierson, D. S.; Monneret, C. A 3D QSAR study of a series of HEPT analogues: The influence of conformational mobility on HIV-1 reverse transcriptase inhibition. J. Med. Chem. 1997, 40, 4257-4264.
    • (1997) J. Med. Chem. , vol.40 , pp. 4257-4264
    • Kireev, D.B.1    Chretien, J.R.2    Grierson, D.S.3    Monneret, C.4
  • 16
    • 0030045677 scopus 로고    scopus 로고
    • 2-Sulfonyl-4-chloranilino moiety: A potent pharmacophore for the anti-human immunodeficiency virus type 1 activity of pyrrolyl aryl sulfones
    • Artico, M.; Silvestri, R.; Massa, S.; Loi, A. G.; Corrias, S.; Piras, G. 2-Sulfonyl-4-chloranilino moiety: A potent pharmacophore for the anti-human immunodeficiency virus type 1 activity of pyrrolyl aryl sulfones. J. Med. Chem. 1996, 39, 522-530.
    • (1996) J. Med. Chem. , vol.39 , pp. 522-530
    • Artico, M.1    Silvestri, R.2    Massa, S.3    Loi, A.G.4    Corrias, S.5    Piras, G.6
  • 17
    • 0028500795 scopus 로고
    • Identification of a pharmacophore for nucleoside analogue inhibitors directed at HIV-1 reverse transcriptase
    • Fisher, M. A.; Yadav, P. N. S.; Yadav, J.; Kristol, D.; Arnold, E.; Modak, M. J. Identification of a pharmacophore for nucleoside analogue inhibitors directed at HIV-1 reverse transcriptase. J. Mol. Recog. 1994, 7, 211-214.
    • (1994) J. Mol. Recog. , vol.7 , pp. 211-214
    • Fisher, M.A.1    Yadav, P.N.S.2    Yadav, J.3    Kristol, D.4    Arnold, E.5    Modak, M.J.6
  • 18
    • 0030471086 scopus 로고    scopus 로고
    • Application of the electrotopological state index to QSAR analysis of flavone derivatives as HIV-1 integrase inhibitors
    • Buolamwini, J. K.; Raghavan, K.; Fesen, M. R.; Pommier, Y.; Kohn, K. W.; Weinstein, J. N. Application of the electrotopological state index to QSAR analysis of flavone derivatives as HIV-1 integrase inhibitors. Pharm. Res. (New York) 1996, 13, 1892-1895.
    • (1996) Pharm. Res. (New York) , vol.13 , pp. 1892-1895
    • Buolamwini, J.K.1    Raghavan, K.2    Fesen, M.R.3    Pommier, Y.4    Kohn, K.W.5    Weinstein, J.N.6
  • 21
  • 22
  • 24
    • 0028070994 scopus 로고
    • Inhibition of HIV-1 integrase by flavones, caffeic acid phenethyl ester (CAPE) and related compounds
    • Fesen, M. R.; Pommier, Y.; Leteurtre, F.; Hiroguchi, S.; Yung, J.; Kohn, K. W. Inhibition of HIV-1 integrase by flavones, caffeic acid phenethyl ester (CAPE) and related compounds. Biochem. Pharmacol. 1994, 48, 595-608.
    • (1994) Biochem. Pharmacol. , vol.48 , pp. 595-608
    • Fesen, M.R.1    Pommier, Y.2    Leteurtre, F.3    Hiroguchi, S.4    Yung, J.5    Kohn, K.W.6
  • 25
    • 0028924311 scopus 로고
    • Three-dimensional quantitative structure-activity relationship (QSAR) of HIV integrase inhibitors: A comparative molecular field analysis (CoMFA) study
    • Raghavan, K.; Buolamwini, J. K.; Fesen, M. R.; Pommier, Y.; Kohn, K. W.; Weinstein, J. N. Three-dimensional quantitative structure-activity relationship (QSAR) of HIV integrase inhibitors: A comparative molecular field analysis (CoMFA) study. J. Med. Chem. 1995, 38, 890-897.
    • (1995) J. Med. Chem. , vol.38 , pp. 890-897
    • Raghavan, K.1    Buolamwini, J.K.2    Fesen, M.R.3    Pommier, Y.4    Kohn, K.W.5    Weinstein, J.N.6
  • 26
    • 0029086827 scopus 로고
    • Quantitative structural activity relationship study of bis-tetraazacyclic compounds. A novel series of HIV-1 and HIV-2 inhibitors
    • Joao, H. C.; De Vreese, K.; Pauwels, R.; De Clercq, E.; Henson, G. W.; Bridger, G. J. Quantitative structural activity relationship study of bis-tetraazacyclic compounds. A novel series of HIV-1 and HIV-2 inhibitors. J. Med. Chem. 1995, 38, 3865-3873.
    • (1995) J. Med. Chem. , vol.38 , pp. 3865-3873
    • Joao, H.C.1    De Vreese, K.2    Pauwels, R.3    De Clercq, E.4    Henson, G.W.5    Bridger, G.J.6
  • 27
    • 0028350971 scopus 로고
    • Three-dimensional structure-activity analysis of a series of porphyrin derivatives with anti-HIV-1 activity targeted to the V3 loop of gp120 envelope glycoprotein of the human immunodeficiency virus type 1
    • Debnath, A. K.; Jiang, S.; Strick, N.; Lin, K.; Haberfield, P.; Neurath, A. R. Three-dimensional structure-activity analysis of a series of porphyrin derivatives with anti-HIV-1 activity targeted to the V3 loop of gp120 envelope glycoprotein of the human immunodeficiency virus type 1. J. Med. Chem. 1994, 37, 1099-1108.
    • (1994) J. Med. Chem. , vol.37 , pp. 1099-1108
    • Debnath, A.K.1    Jiang, S.2    Strick, N.3    Lin, K.4    Haberfield, P.5    Neurath, A.R.6
  • 28
    • 0024578841 scopus 로고
    • New soluble formazan assay for HIV-1 cytopathic effects: Application to high flux screening of synthetic and natural products for AIDS antiviral activity
    • Weislow, O. S.; Kiser, R.; Fine, D. L.; Bader, J. P.; Shoemaker, R. H.; Boyd, M. R. New soluble formazan assay for HIV-1 cytopathic effects: application to high flux screening of synthetic and natural products for AIDS antiviral activity. J. Natl. Cancer Inst. 1989, 81, 577-586.
    • (1989) J. Natl. Cancer Inst. , vol.81 , pp. 577-586
    • Weislow, O.S.1    Kiser, R.2    Fine, D.L.3    Bader, J.P.4    Shoemaker, R.H.5    Boyd, M.R.6
  • 29
    • 0026778110 scopus 로고
    • MULTICASE 1. A hierarchical computer automated structure evaluation program
    • Klopman, G. MULTICASE 1. A hierarchical computer automated structure evaluation program. Quant. Struct.-Act. Relat. 1992, 11, 176-184.
    • (1992) Quant. Struct.-Act. Relat. , vol.11 , pp. 176-184
    • Klopman, G.1
  • 30
    • 0021529312 scopus 로고
    • Artificial intelligence approach to structure-activity studies. Computer automated structure evaluation of biological activity of organic molecules
    • Klopman, G. Artificial intelligence approach to structure-activity studies. Computer automated structure evaluation of biological activity of organic molecules. J. Am. Chem. Soc. 1984, 106, 7315-7321.
    • (1984) J. Am. Chem. Soc. , vol.106 , pp. 7315-7321
    • Klopman, G.1
  • 31
    • 0024508058 scopus 로고
    • HIV with reduced sensitivity to ziaovudine (AZT) isolated during prolonged therapy
    • Larder, B. A.; Darby, G.; Richman, D. D. HIV with reduced sensitivity to ziaovudine (AZT) isolated during prolonged therapy. Science 1989, 243, 1731-1734.
    • (1989) Science , vol.243 , pp. 1731-1734
    • Larder, B.A.1    Darby, G.2    Richman, D.D.3
  • 35
  • 36
    • 0026642680 scopus 로고
    • In vitro modulation of the toxicity associated with the use of zidovudine on normal murine, human, and murine retrovirus-infected hematopoietic progenitor stem cells with basic fibroblast growth and synergistic activity with interleukin-1
    • Gallicchio, V. S.; Hughes, N. K.; Hulette, B. C. In vitro modulation of the toxicity associated with the use of zidovudine on normal murine, human, and murine retrovirus-infected hematopoietic progenitor stem cells with basic fibroblast growth and synergistic activity with interleukin-1. J. Leukoc. Biol. 1992, 51, 336-342.
    • (1992) J. Leukoc. Biol. , vol.51 , pp. 336-342
    • Gallicchio, V.S.1    Hughes, N.K.2    Hulette, B.C.3


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