메뉴 건너뛰기




Volumn 24, Issue 4, 2009, Pages 937-948

QSAR of aminopyrido[2,3-d]pyrimidin-7-yl derivatives: Anticancer drug design by computed descriptors

Author keywords

anticancer drug design; inhibition; murine tumors; pyrido pyrimidine derivatives; QSAR; ridge regression; structural descriptors; tyrosine kinase

Indexed keywords

ANTINEOPLASTIC AGENT; PYRIDINE DERIVATIVE; PYRIMIDINONE DERIVATIVE;

EID: 76249106216     PISSN: 14756366     EISSN: 14756374     Source Type: Journal    
DOI: 10.1080/14756360802519327     Document Type: Article
Times cited : (18)

References (38)
  • 2
    • 0035902180 scopus 로고    scopus 로고
    • Oncogenic kinase signaling
    • Blume-Jensen P, Hunter T. Oncogenic kinase signaling. Nature 2001; 411: 355 – 365.
    • (2001) Nature , vol.411 , pp. 355-365
    • Blume-Jensen, P.1    Hunter, T.2
  • 4
    • 0033619989 scopus 로고    scopus 로고
    • Tyrosine Kinase Inhibitors. 16. 6,5,6-Tricyclic Benzothieno[3,2-d]pyrimidines and Pyrimido[5,4-b]- and -[4,5-b]indoles as Potent Inhibitors of the Epidermal Growth Factor Receptor Tyrosine Kinase
    • Bridges AJ, Zhou H, Sercel AD, McMichael A, Fry DW. Tyrosine Kinase Inhibitors. 16. 6,5,6-Tricyclic Benzothieno[3,2-d]pyrimidines and Pyrimido[5,4-b]- and -[4,5-b]indoles as Potent Inhibitors of the Epidermal Growth Factor Receptor Tyrosine Kinase. J Med Chem 1999; 42: 5464 – 5474.
    • (1999) J Med Chem , vol.42 , pp. 5464-5474
    • Bridges, A.J.1    Zhou, H.2    Sercel, A.D.3    McMichael, A.4    Fry, D.W.5
  • 6
    • 2542428405 scopus 로고    scopus 로고
    • Usefulness of graphical invariants in quantitative structure–activity correlations of tuberculostatic drugs of the isonicotinic acid hydrazide type
    • Bagchi MC, Maiti BC, Mills D, Basak SC. Usefulness of graphical invariants in quantitative structure–activity correlations of tuberculostatic drugs of the isonicotinic acid hydrazide type. J Mol Model 2004; 10: 102 – 111.
    • (2004) J Mol Model , vol.10 , pp. 102-111
    • Bagchi, M.C.1    Maiti, B.C.2    Mills, D.3    Basak, S.C.4
  • 7
    • 0037418648 scopus 로고    scopus 로고
    • On application of atom pairs on Drug Design
    • Bagchi MC, Maiti BC. On application of atom pairs on Drug Design. J Mol Struct: THEOCHEM 2003; 623: 31 – 37.
    • (2003) J Mol Struct: THEOCHEM , vol.623 , pp. 31-37
    • Bagchi, M.C.1    Maiti, B.C.2
  • 8
    • 3042685008 scopus 로고    scopus 로고
    • QSAR of antituberculosis drugs of INH type using graphical invariants
    • Bagchi MC, Maiti BC, Bose S. QSAR of antituberculosis drugs of INH type using graphical invariants. J Mol Struct: THEOCHEM 2004; 679: 179 – 186.
    • (2004) J Mol Struct: THEOCHEM , vol.679 , pp. 179-186
    • Bagchi, M.C.1    Maiti, B.C.2    Bose, S.3
  • 9
    • 34948849253 scopus 로고    scopus 로고
    • QSAR analysis of BABQ compounds via calculated molecular descriptors
    • Nandi S, Bagchi MC. QSAR analysis of BABQ compounds via calculated molecular descriptors. Med Chem Res 2007; 15: 393 – 406.
    • (2007) Med Chem Res , vol.15 , pp. 393-406
    • Nandi, S.1    Bagchi, M.C.2
  • 10
    • 35348967842 scopus 로고    scopus 로고
    • Anticancer activity of selective phenolic compounds: QSAR studies using ridge regression and neural networks
    • Nandi S, Vracko M, Bagchi MC. Anticancer activity of selective phenolic compounds: QSAR studies using ridge regression and neural networks. Chem Biol Drug Des 2007; 70: 424 – 436.
    • (2007) Chem Biol Drug Des , vol.70 , pp. 424-436
    • Nandi, S.1    Vracko, M.2    Bagchi, M.C.3
  • 11
    • 33846505323 scopus 로고    scopus 로고
    • On an aspect of calculated molecular descriptors in QSAR studies of quinolone antibacterials
    • Ghosh P, Thanadath M, Bagchi MC. On an aspect of calculated molecular descriptors in QSAR studies of quinolone antibacterials. Molecular Diversity 2006; 10: 415 – 427.
    • (2006) Molecular Diversity , vol.10 , pp. 415-427
    • Ghosh, P.1    Thanadath, M.2    Bagchi, M.C.3
  • 12
    • 0001795946 scopus 로고
    • Ridge regression biased estimation for nonorthogonal problems
    • Hoerl AE, Kennard RW. Ridge regression biased estimation for nonorthogonal problems. Technometrics 1970; 8: 27 – 51.
    • (1970) Technometrics , vol.8 , pp. 27-51
    • Hoerl, A.E.1    Kennard, R.W.2
  • 13
    • 33244481088 scopus 로고    scopus 로고
    • Three-Dimensional QSAR using the k-Nearest Neighbor method and its interpretation
    • Ajmani S, Jadhav K, Kulkarni SA. Three-Dimensional QSAR using the k-Nearest Neighbor method and its interpretation. J Chem Inf Model 2006; 46: 24 – 31.
    • (2006) J Chem Inf Model , vol.46 , pp. 24-31
    • Ajmani, S.1    Jadhav, K.2    Kulkarni, S.A.3
  • 14
    • 0036984821 scopus 로고    scopus 로고
    • Prediction of tissue:air partition coefficient: A comparison of structure-based and property-based methods
    • Basak SC, Mills D, Hawkins DM, EI-Masri HA. Prediction of tissue:air partition coefficient: A comparison of structure-based and property-based methods. SAR QSAR Environ Res 2002; 13: 649 – 665.
    • (2002) SAR QSAR Environ Res , vol.13 , pp. 649-665
    • Basak, S.C.1    Mills, D.2    Hawkins, D.M.3    EI-Masri, H.A.4
  • 16
    • 85027914967 scopus 로고    scopus 로고
    • http:// preadmet.brdrc.org/
  • 17
    • 84872428033 scopus 로고    scopus 로고
    • VLife Technologies, Pune, India
    • Molecular Design Suite 3.5, VLife Technologies, Pune, India. www.vlifesciences.com
    • Molecular Design Suite 3.5
  • 18
    • 8544258061 scopus 로고    scopus 로고
    • Topological descriptors in drug design and modeling studies
    • Roy K. Topological descriptors in drug design and modeling studies. Molecular Diversity 2004; 8: 321 – 323.
    • (2004) Molecular Diversity , vol.8 , pp. 321-323
    • Roy, K.1
  • 21
    • 0035353644 scopus 로고    scopus 로고
    • Novel shape descriptors for molecular graphs
    • Randic M. Novel shape descriptors for molecular graphs. J Chem Inf Comput Sci 2001; 41: 607 – 613.
    • (2001) J Chem Inf Comput Sci , vol.41 , pp. 607-613
    • Randic, M.1
  • 22
    • 0018983267 scopus 로고
    • Inflation of R2 in best subset regression
    • Rencher AC, Pun FC. Inflation of R2 in best subset regression. Technometrics 1980; 22: 49 – 53.
    • (1980) Technometrics , vol.22 , pp. 49-53
    • Rencher, A.C.1    Pun, F.C.2
  • 23
    • 0000026923 scopus 로고    scopus 로고
    • In J Devillers and AT Balaban (Eds.) Amsterdam, The Netherlands, Gordon and Breach
    • Estrada E. In: J Devillers and AT Balaban (Eds.). Topological Indices And Related Descriptors In QSAR And QSPR. Amsterdam, The Netherlands: Gordon and Breach; 1999. p 403 – 453.
    • (1999) Topological Indices And Related Descriptors In QSAR And QSPR , pp. 403-453
    • Estrada, E.1
  • 24
    • 0002692783 scopus 로고
    • Soft modelling by latent variables: The non-linear iterative partial least squares approach
    • In Gani J (ed.) London, Academic Press
    • Wold H. Soft modelling by latent variables: The non-linear iterative partial least squares approach. In: Gani J. (ed.). Perspectives in probability and statistics. papers in honor of Bartlett MS. London: Academic Press; 1975.
    • (1975) Perspectives in probability and statistics. papers in honor of Bartlett MS
    • Wold, H.1
  • 25
    • 84984279548 scopus 로고
    • A Combined Theory for PCA and PLS
    • Hoskuldsson A. A Combined Theory for PCA and PLS. J Chemom 1995; 9: 91 – 123.
    • (1995) J Chemom , vol.9 , pp. 91-123
    • Hoskuldsson, A.1
  • 26
    • 0000957593 scopus 로고
    • Principal Components Regression in Exploratory Statistical Research
    • Massy WF. Principal Components Regression in Exploratory Statistical Research. J. Amer Statist Assoc 1965; 60: 234 – 246.
    • (1965) J. Amer Statist Assoc , vol.60 , pp. 234-246
    • Massy, W.F.1
  • 27
    • 84952149204 scopus 로고
    • A Statistical View of Some Chemometrics Regression Tools
    • Frank IE, Friedman JH. A Statistical View of Some Chemometrics Regression Tools. Technometrics 1993; 35: 109 – 135.
    • (1993) Technometrics , vol.35 , pp. 109-135
    • Frank, I.E.1    Friedman, J.H.2
  • 28
    • 0011143599 scopus 로고    scopus 로고
    • Molecular Geometries and Vibrational Frequencies
    • Halgren, TA. Merck Molecular Force Field. III. Molecular Geometries and Vibrational Frequencies. J Comp Chem 1996; 17: 553 – 586.
    • (1996) J Comp Chem , vol.17 , pp. 553-586
    • Halgren, T.A.1
  • 29
    • 0023751431 scopus 로고
    • Comparative molecular field analysis (CoMFA) 1. Effect of shape on binding of steroids to carrier proteins
    • Cramer RD, Patterson DE, Bunce JD. 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
  • 30
    • 49149147973 scopus 로고
    • Iterative Partial Equalization of Orbital Electronegativity - A Rapid Access to Atomic Charges
    • Gasteiger J, Marsili M. Iterative Partial Equalization of Orbital Electronegativity - A Rapid Access to Atomic Charges. Tetrahedron 1980; 36: 3219 – 3228.
    • (1980) Tetrahedron , vol.36 , pp. 3219-3228
    • Gasteiger, J.1    Marsili, M.2
  • 33
    • 0009848643 scopus 로고    scopus 로고
    • Number Cruncher Statitical Systems, Kaysville, Utah
    • NCSS – Statistical and Power Analysis Software; Hintze J. 2004, NCSS and PASS. Number Cruncher Statitical Systems, Kaysville, Utah. http://www.ncss.com/.
    • (2004) NCSS and PASS
    • Hintze, J.1
  • 34
    • 35348956843 scopus 로고    scopus 로고
    • Quantitative structure-activity relationship (QSAR) studies of quinolone antibacterials against M. fortuitum and M. smegmatis using theoretical molecular descriptors
    • Bagchi MC, Mills D, Basak SC. Quantitative structure-activity relationship (QSAR) studies of quinolone antibacterials against M. fortuitum and M. smegmatis using theoretical molecular descriptors. J Mol Model 2007; 13: 111 – 120.
    • (2007) J Mol Model , vol.13 , pp. 111-120
    • Bagchi, M.C.1    Mills, D.2    Basak, S.C.3
  • 36
    • 0344564976 scopus 로고
    • 3D QSAR in Drug Design
    • ESCOM, Leiden, Science Publishers B.V.;
    • Kubinyi H. Ed. 3D QSAR in Drug Design. Theory, Methods and Applications. ESCOM, Leiden: Science Publishers B.V.; 1993. p 486 – 502.
    • (1993) Theory, Methods and Applications , pp. 486-502
    • Kubinyi, H.1
  • 37
    • 41649088617 scopus 로고    scopus 로고
    • 3D-QSAR Investigation of Synthetic Antioxidant Chromone Derivatives by Molecular Field Analysis
    • Samee W, Nunthanavanit P, Ungwitayatorn J. 3D-QSAR Investigation of Synthetic Antioxidant Chromone Derivatives by Molecular Field Analysis. Int J Mol Sci 2008; 9: 235 – 246.
    • (2008) Int J Mol Sci , vol.9 , pp. 235-246
    • Samee, W.1    Nunthanavanit, P.2    Ungwitayatorn, J.3
  • 38
    • 0032554818 scopus 로고    scopus 로고
    • Development of a Binding Model to Protein Tyrosine Kinases for Substituted Pyrido[2,3-d]pyrimidine Inhibitors
    • Trumpp-Kallmeyer S, Rubin JR, Humblet C, Hamby JM, Showalter HDH. Development of a Binding Model to Protein Tyrosine Kinases for Substituted Pyrido[2,3-d]pyrimidine Inhibitors. J Med Chem 1998; 41: 1752 – 1763.
    • (1998) J Med Chem , vol.41 , pp. 1752-1763
    • Trumpp-Kallmeyer, S.1    Rubin, J.R.2    Humblet, C.3    Hamby, J.M.4    Showalter, H.D.H.5


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.