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Volumn 41, Issue 4, 2001, Pages 1032-1040

3D QSAR Analyses of Novel Tyrosine Kinase Inhibitors Based on Pharmacophore Alignment

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; HYDROGEN BONDS; HYDROPHOBICITY; MOLECULAR GRAPHICS; MOLECULES; OXYGEN;

EID: 0035385131     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci010002i     Document Type: Article
Times cited : (41)

References (26)
  • 1
    • 0031936410 scopus 로고    scopus 로고
    • Specificity within the EGF family ErbB receptor family signaling network
    • Riese, D. J.; Stern, D. F. Specificity within the EGF family ErbB receptor family signaling network. Bioessays 1998, 20, 41-48.
    • (1998) Bioessays , vol.20 , pp. 41-48
    • Riese, D.J.1    Stern, D.F.2
  • 2
    • 0028170817 scopus 로고
    • Receptor protein-tyrosine kinases and their signal transduction pathways
    • van der Geer, P.; Hunter, T. Receptor protein-tyrosine kinases and their signal transduction pathways. Annu. Rev. Cell Biol. 1994, 10, 251-337.
    • (1994) Annu. Rev. Cell Biol. , vol.10 , pp. 251-337
    • Van Der Geer, P.1    Hunter, T.2
  • 4
    • 0027198702 scopus 로고
    • Selective inhibition of the epidermal growth factor and HER2/neu receptors by tyrphostins
    • Osherov, N.; Gazit, A.; Gilon, C.; Levitzki, A. Selective inhibition of the epidermal growth factor and HER2/neu receptors by tyrphostins. J. Bio. Chem. 1993, 268, 11134-11142.
    • (1993) J. Bio. Chem. , vol.268 , pp. 11134-11142
    • Osherov, N.1    Gazit, A.2    Gilon, C.3    Levitzki, A.4
  • 5
    • 0032474915 scopus 로고    scopus 로고
    • Synthesis and biological evaluations of 3-substituted indolin-2-ones: A novel class of tyrosine kinase inhibitors that exhibit selectivity toward particular receptor tyrosine kinases
    • Sun, L.; Tran, N.; Tang, F.; App, H.; Hirth, P.; McMahon, G.; Tang, C. Synthesis and biological evaluations of 3-substituted indolin-2-ones: A novel class of tyrosine kinase inhibitors that exhibit selectivity toward particular receptor tyrosine kinases. J. Med. Chem. 1998, 41, 2588-2603.
    • (1998) J. Med. Chem. , vol.41 , pp. 2588-2603
    • Sun, L.1    Tran, N.2    Tang, F.3    App, H.4    Hirth, P.5    McMahon, G.6    Tang, C.7
  • 6
    • 0012004947 scopus 로고    scopus 로고
    • Molecular Simulations Inc.: Burlington, MA
    • CATALYST 4.0 User Guide; Molecular Simulations Inc.: Burlington, MA, 1998.
    • (1998) CATALYST 4.0 User Guide
  • 7
    • 0011924051 scopus 로고    scopus 로고
    • Tripos Inc.: St. Louis, MO
    • SYBYL 4.5; Tripos Inc.: St. Louis, MO, 1999.
    • (1999) SYBYL 4.5
  • 8
    • 0023751431 scopus 로고
    • Comparative Molecular Field Analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins
    • Cramer, R. D.; Patterson, D. E.; Bunce, J. D. Comparative Molecular Field Analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins. J. Am. Chem. Soc. 1988, 110, 5959-5967.
    • (1988) J. Am. Chem. Soc. , vol.110 , pp. 5959-5967
    • Cramer, R.D.1    Patterson, D.E.2    Bunce, J.D.3
  • 9
    • 0005304561 scopus 로고
    • Kubinyi, H., Ed.; ESCOM: Leiden
    • Wade, R. C. In 3D QSAR in Drug Design; Kubinyi, H., Ed.; ESCOM: Leiden, 1993; pp 486-506.
    • (1993) 3D QSAR in Drug Design , pp. 486-506
    • Wade, R.C.1
  • 11
    • 0027944195 scopus 로고
    • Molecular similarity indices in a comparative analysis (CoMSIA) of drug molecules to correlate and predict their biological activity
    • Klebe, G.; Abraham, U.; Mietzner, T. Molecular similarity indices in a comparative analysis (CoMSIA) of drug molecules to correlate and predict their biological activity. J. Med. Chem. 1994, 37, 4130-4146.
    • (1994) J. Med. Chem. , vol.37 , pp. 4130-4146
    • Klebe, G.1    Abraham, U.2    Mietzner, T.3
  • 12
    • 0033022163 scopus 로고    scopus 로고
    • Comparative Molecular Similarity Index Analysis (CoMSIA) to study hydrogen-bonding properties and to score combinatorial libraries
    • Klebe, G.; Abraham, U. Comparative Molecular Similarity Index Analysis (CoMSIA) to study hydrogen-bonding properties and to score combinatorial libraries. J. Comput.-Aided Mol. Des. 1999, 13, 1-10.
    • (1999) J. Comput.-Aided Mol. Des. , vol.13 , pp. 1-10
    • Klebe, G.1    Abraham, U.2
  • 13
    • 0037920567 scopus 로고    scopus 로고
    • Three-dimensional quantitative structure-activity relationship analyses using comparative molecular field analysis and comparative molecular similarity indices analysis to elucidate selectivity differences of inhibitors binding to trypsin, thrombin, and factor Xa
    • Bohm, M.; Sturzebecher, J.; Klebe, G. Three-dimensional quantitative structure-activity relationship analyses using comparative molecular field analysis and comparative molecular similarity indices analysis to elucidate selectivity differences of inhibitors binding to trypsin, thrombin, and factor Xa. J. Med. Chem. 1999, 42, 458-477.
    • (1999) J. Med. Chem. , vol.42 , pp. 458-477
    • Bohm, M.1    Sturzebecher, J.2    Klebe, G.3
  • 15
    • 84986522856 scopus 로고
    • Poling - Promoting conformational variation
    • Smellie, A.; Teig, S. L.; Towbin, P. Poling - promoting conformational variation. J. Comput. Chem. 1995, 16, 171-187.
    • (1995) J. Comput. Chem. , vol.16 , pp. 171-187
    • Smellie, A.1    Teig, S.L.2    Towbin, P.3
  • 16
    • 0029277503 scopus 로고
    • Analysis of conformational coverage 0.1. Validation and estimation of coverage
    • Smellie, A.; Kahn, S. D.; Teig, S. L. Analysis of conformational coverage 0.1. Validation and estimation of coverage. J. Chem. Inf. Comput. Sci. 1995, 35, 285-294.
    • (1995) J. Chem. Inf. Comput. Sci. , vol.35 , pp. 285-294
    • Smellie, A.1    Kahn, S.D.2    Teig, S.L.3
  • 17
    • 0027548454 scopus 로고
    • A fast new approach to pharmacophore mapping and its application to dopaminergic and benzodiazepine agonists
    • Martin, Y. C.; Bures, M. G.; Danaher, E. A.; DeLazzer, J.; Lico, I.; Pavlik, P. A. A fast new approach to pharmacophore mapping and its application to dopaminergic and benzodiazepine agonists. J. Comput.-Aided Mol. Des. 1993, 7, 83-102.
    • (1993) J. Comput.-Aided Mol. Des. , vol.7 , pp. 83-102
    • Martin, Y.C.1    Bures, M.G.2    Danaher, E.A.3    Delazzer, J.4    Lico, I.5    Pavlik, P.A.6
  • 18
    • 0027672324 scopus 로고
    • Sample Distance Partial Least Squares: PLS Optimized for Many Variables, with Application to CoMFA
    • Bush, B. L.; Nachbar, R. B. Sample Distance Partial Least Squares: PLS Optimized for Many Variables, with Application to CoMFA. J. Comput.-Aided Mol. 1993, 7, 587-619.
    • (1993) J. Comput.-Aided Mol. , vol.7 , pp. 587-619
    • Bush, B.L.1    Nachbar, R.B.2
  • 19
    • 0028135444 scopus 로고
    • Conformational analysis, pharmacophore identification, and comparative molecular field analysis of ligands for the neuromodulatory sigma 3 receptor
    • Myers, A. M.; Charifson. P. S.; Owens, C. E.; Kula, N. S.; McPhail, A. T.; Baldessarini, R. J.; Booth, R. G.; Wyrick, S. D. Conformational analysis, pharmacophore identification, and comparative molecular field analysis of ligands for the neuromodulatory sigma 3 receptor. J. Med. Chem. 1994, 37, 4109-4117.
    • (1994) J. Med. Chem. , vol.37 , pp. 4109-4117
    • Myers, A.M.1    Charifson, P.S.2    Owens, C.E.3    Kula, N.S.4    McPhail, A.T.5    Baldessarini, R.J.6    Booth, R.G.7    Wyrick, S.D.8
  • 21
    • 0001236393 scopus 로고    scopus 로고
    • On the use of chemical function-based alignments as input for 3D-QSAR
    • Langer, T.; Hoffmann, R. On the use of chemical function-based alignments as input for 3D-QSAR. J. Chem. Inf. Comput. Sci. 1998, 38, 325-330.
    • (1998) J. Chem. Inf. Comput. Sci. , vol.38 , pp. 325-330
    • Langer, T.1    Hoffmann, R.2
  • 22
    • 0001589603 scopus 로고    scopus 로고
    • Development of pharmacophore alignment models as input for comparative molecular field analysis of a diverse set of azole antifungal agents
    • Talele, T. T.; Kulkarni, S. S.; Kulkarni, V. M. Development of pharmacophore alignment models as input for comparative molecular field analysis of a diverse set of azole antifungal agents. J. Chem. Inf. Comput. Sci. 1999, 39, 958-966.
    • (1999) J. Chem. Inf. Comput. Sci. , vol.39 , pp. 958-966
    • Talele, T.T.1    Kulkarni, S.S.2    Kulkarni, V.M.3
  • 23
    • 0033577787 scopus 로고    scopus 로고
    • 3D QSAR analysis of novel 5-HT1A receptor ligands
    • Borosy, A. P.; Morvay, M.; Matyus, P. 3D QSAR analysis of novel 5-HT1A receptor ligands. Chemometr. Intell. Lab. 1999, 47, 239252.
    • (1999) Chemometr. Intell. Lab. , vol.47 , pp. 239252
    • Borosy, A.P.1    Morvay, M.2    Matyus, P.3
  • 24
    • 0033004250 scopus 로고    scopus 로고
    • Comparative molecular field analysis and energy interaction studies of thrombin-inhibitor complexes
    • Bursi, R.; Grootenhuis, P. D. J. Comparative molecular field analysis and energy interaction studies of thrombin-inhibitor complexes. J. Comput. Aid. Mol. Des. 1999, 13, 221-232.
    • (1999) J. Comput. Aid. Mol. Des. , vol.13 , pp. 221-232
    • Bursi, R.1    Grootenhuis, P.D.J.2
  • 25
    • 0034628496 scopus 로고    scopus 로고
    • Derivation of pharmacophore and CoMFA models for leukotriene D(4) receptor antagonists of the quinolinyl(bridged)aryl series
    • Palomer, A.; Pascual, J.; Cabre, F.; Garcia, M. L.; Mauleon, D. Derivation of pharmacophore and CoMFA models for leukotriene D(4) receptor antagonists of the quinolinyl(bridged)aryl series. J. Med. Chem. 2000, 43, 392-400.
    • (2000) J. Med. Chem. , vol.43 , pp. 392-400
    • Palomer, A.1    Pascual, J.2    Cabre, F.3    Garcia, M.L.4    Mauleon, D.5


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.