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Volumn 44, Issue 6, 2004, Pages 2179-2189

Development of linear, ensemble, and nonlinear models for the prediction and interpretation of the biological activity of a set of PDGFR inhibitors

Author keywords

[No Author keywords available]

Indexed keywords

CELL GROWTH; GROWTH RECEPTORS; HUMAN PLASMA; SIGNAL TRANSDUCTION;

EID: 10044227497     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci049849f     Document Type: Article
Times cited : (81)

References (53)
  • 1
    • 0035413615 scopus 로고    scopus 로고
    • Comparative QSAR study of tyrosine kinase inhibitors
    • Kurup, A.; Garg, R.; Hansch, C. Comparative QSAR Study of Tyrosine Kinase Inhibitors. Chem. Rev. 2001, 101, 2573-2600.
    • (2001) Chem. Rev. , vol.101 , pp. 2573-2600
    • Kurup, A.1    Garg, R.2    Hansch, C.3
  • 2
    • 0026793456 scopus 로고
    • Growth factor signaling by receptor tyrosine kinases
    • Schlessinger, J.; Ullrich, A. Growth Factor Signaling By Receptor Tyrosine Kinases. Neuron 1992, 9, 383.
    • (1992) Neuron , vol.9 , pp. 383
    • Schlessinger, J.1    Ullrich, A.2
  • 3
    • 0026000337 scopus 로고
    • Platelet derived growth factor (PDGF) and PDGF receptor (PDGFR) are induced in mesangial proliferative nephritis in the rat
    • Iida, H.; Seifert, R.; Alpers, C. E.; Gronwald, R. G.; Philips, P. E.; Pritzl, P.; et al. Platelet derived growth factor (PDGF) and PDGF Receptor (PDGFR) Are Induced In Mesangial Proliferative Nephritis In The Rat. Proc. Natl. Acad. Sci. 1995, 88, 6560-6564.
    • (1995) Proc. Natl. Acad. Sci. , vol.88 , pp. 6560-6564
    • Iida, H.1    Seifert, R.2    Alpers, C.E.3    Gronwald, R.G.4    Philips, P.E.5    Pritzl, P.6
  • 4
    • 0037103166 scopus 로고    scopus 로고
    • Identification of orally active, potent, and selective 4-piperazinylquinazolines as antagonists of the platelet-derived growth factor receptor tyrosine kinase family
    • Pandey, A.; Volkots, D. L.; Seroogy, J. M.; Rose, J. W.; Yu, J.-C.; Lambing, J. L.; et al. Identification of Orally Active, Potent, and Selective 4-Piperazinylquinazolines as Antagonists of the Platelet-Derived Growth Factor Receptor Tyrosine Kinase Family. J. Med. Chem. 2002, 45, 3772-3793.
    • (2002) J. Med. Chem. , vol.45 , pp. 3772-3793
    • Pandey, A.1    Volkots, D.L.2    Seroogy, J.M.3    Rose, J.W.4    Yu, J.-C.5    Lambing, J.L.6
  • 5
    • 0033168447 scopus 로고    scopus 로고
    • Structure-activity relationships for 5-substituted 1-phenylbenzimidazoles as selective inhibitors of the platelet-derived growth factor receptor
    • Palmer, B. D.; Kraker, A. J.; Hartl, B. G.; Panopoulos, A. D.; Panek, R. L.; Batley, B. L.; et al. Structure-Activity Relationships for 5-Substituted 1-Phenylbenzimidazoles as Selective Inhibitors of the Platelet-Derived Growth Factor Receptor. J. Med. Chem. 1999, 42, 2373-2382.
    • (1999) J. Med. Chem. , vol.42 , pp. 2373-2382
    • Palmer, B.D.1    Kraker, A.J.2    Hartl, B.G.3    Panopoulos, A.D.4    Panek, R.L.5    Batley, B.L.6
  • 6
    • 0030660243 scopus 로고    scopus 로고
    • A novel series of 4-phenoxyquinoxazolines: Potent and highly selective inhibitors of PDGF receptor autophophorylation
    • Kubo, K.; Shimizu, T.; Ohyama, S.; Murooka, H.; Nishitoba, T.; Kato, S.; et al. A novel series of 4-phenoxyquinoxazolines: potent and highly selective inhibitors of PDGF receptor autophophorylation. Bioorg. Med. Chem. Lett. 1997, 7, 2935-2940.
    • (1997) Bioorg. Med. Chem. Lett. , vol.7 , pp. 2935-2940
    • Kubo, K.1    Shimizu, T.2    Ohyama, S.3    Murooka, H.4    Nishitoba, T.5    Kato, S.6
  • 7
    • 15644374929 scopus 로고    scopus 로고
    • Synthesis and tyrosine kinase inhibitory activity of a series of 2-amino-8h-pyrido[2,3-d]pyrimidines: Identification of potent, selective platelet-derived growth factor receptor tyrosine kinase inhibitors
    • Boschelli, D. H.; Wu, Z.; Klutchko, S. R.; Showalter, H. D. H.; Hamby, J. M.; Lu, G. H.; et al. Synthesis and Tyrosine Kinase Inhibitory Activity of a Series of 2-Amino-8H-pyrido[2,3-d]pyrimidines: Identification of Potent, Selective Platelet-Derived Growth Factor Receptor Tyrosine Kinase Inhibitors. J. Med. Chem. 1998, 41, 4365-4377.
    • (1998) J. Med. Chem. , vol.41 , pp. 4365-4377
    • Boschelli, D.H.1    Wu, Z.2    Klutchko, S.R.3    Showalter, H.D.H.4    Hamby, J.M.5    Lu, G.H.6
  • 8
    • 15444353988 scopus 로고    scopus 로고
    • 2-Substituted aminopyrido[2,3-d]pyrimidin7(8H)-ones. Structure-activity relationships against selected tyrosine kinases and in vitro and in vivo anticancer activity
    • Klutchko, S. R.; Hamby, J. M.; Boschelli, D. H.; Wu, Z.; Kraker, A. J.; Amar, A. M.; et al. 2-Substituted Aminopyrido[2,3-d]pyrimidin7(8H)-ones. Structure-Activity Relationships Against Selected Tyrosine Kinases and in Vitro and in Vivo Anticancer Activity. J. Med. Chem. 1998, 41, 3276-3292.
    • (1998) J. Med. Chem. , vol.41 , pp. 3276-3292
    • Klutchko, S.R.1    Hamby, J.M.2    Boschelli, D.H.3    Wu, Z.4    Kraker, A.J.5    Amar, A.M.6
  • 9
    • 0034308176 scopus 로고    scopus 로고
    • Biochemical and cellular effects of c-Src kinase-selective pyrido[2,3-d]pyrimidine tyrosine kinase inhibitors
    • Kraker, A. J.; Hartl, B. G.; Amar, A. M.; Barvian, M. R.; Showalter, H. D. H.; Moore, C. W. Biochemical and cellular effects of c-Src kinase-selective pyrido[2,3-d]pyrimidine tyrosine kinase inhibitors. Biochem. Pharmacol. 2000, 60, 885-898.
    • (2000) Biochem. Pharmacol. , vol.60 , pp. 885-898
    • Kraker, A.J.1    Hartl, B.G.2    Amar, A.M.3    Barvian, M.R.4    Showalter, H.D.H.5    Moore, C.W.6
  • 10
    • 0042834364 scopus 로고    scopus 로고
    • Quantitative structure-activity relationships (QSAR): Studies of inhibitors of tyrosine kinase
    • Shen, Q.; Lu, Q.-Z.; Jiang, J.-H.; Shen, G.-L.; Yu, R.-Q. Quantitative structure-activity relationships (QSAR): studies of inhibitors of tyrosine kinase. Eur. J. Pharm. Sci. 2003, 20, 63-71.
    • (2003) Eur. J. Pharm. Sci. , vol.20 , pp. 63-71
    • Shen, Q.1    Lu, Q.-Z.2    Jiang, J.-H.3    Shen, G.-L.4    Yu, R.-Q.5
  • 11
    • 0042020256 scopus 로고    scopus 로고
    • Topological designing of 4-perazinylquinazolines as anatagonists of PDGFR tyrosine kinase family
    • Khadikar, P. V.; Shrivastava, A.; Agrawal, V. K.; Srivastava, S. Topological Designing of 4-Perazinylquinazolines as Anatagonists of PDGFR Tyrosine Kinase Family. Bioorg. Med. Chem. Lett. 2003, 13, 3009-3014.
    • (2003) Bioorg. Med. Chem. Lett. , vol.13 , pp. 3009-3014
    • Khadikar, P.V.1    Shrivastava, A.2    Agrawal, V.K.3    Srivastava, S.4
  • 12
    • 0031438411 scopus 로고    scopus 로고
    • Functional importance of the platelet derived growth factor receptor extra-cellular immunoglobin like domains: Identification of PDGF binding site and neutralizing monoclonal antibodies
    • Lokker, N. A.; O'Hare, J. P.; Barsoumian, A.; Tomlinson, J. E.; Ramakrishnan, V.; Fretto, L. J.; Giese, N. A. Functional Importance of the Platelet Derived Growth Factor Receptor Extra-Cellular Immunoglobin Like Domains: Identification of PDGF Binding Site and Neutralizing Monoclonal Antibodies. J. Biol. Chem. 1997, 272, 33037-33044.
    • (1997) J. Biol. Chem. , vol.272 , pp. 33037-33044
    • Lokker, N.A.1    O'Hare, J.P.2    Barsoumian, A.3    Tomlinson, J.E.4    Ramakrishnan, V.5    Fretto, L.J.6    Giese, N.A.7
  • 13
    • 0002841895 scopus 로고
    • Studies of chemical structure biological activity relations using patter recognition
    • Olsen, E. C., Christoffersen, R. E., Eds.; American Chemical Society: Washington, DC
    • Jurs, P. C.; Chou, J. T.; Yuan, M. Studies of Chemical Structure Biological Activity Relations Using Patter Recognition. In Computer Assisted Drug Design; Olsen, E. C., Christoffersen, R. E., Eds.; American Chemical Society: Washington, DC, 1979.
    • (1979) Computer Assisted Drug Design
    • Jurs, P.C.1    Chou, J.T.2    Yuan, M.3
  • 15
    • 0035478854 scopus 로고    scopus 로고
    • Random forests
    • Breiman, L. Random Forests. Machine Learning 2001, 45, 5-32.
    • (2001) Machine Learning , vol.45 , pp. 5-32
    • Breiman, L.1
  • 17
    • 10044294600 scopus 로고    scopus 로고
    • Hypercube Inc.: Gainesville, FL
    • Hyperchem, v. 6.01; Hypercube Inc.: Gainesville, FL.
    • Hyperchem, V. 6.01
  • 19
    • 0001638258 scopus 로고
    • Molecular surface areas and volumes and their use in structure/activity relationships
    • Yalkowsky, S. H., Sinkula, A. A., Valvani, S. C., Eds.; Marcel Dekker: New York
    • Pearlman, R. S. Molecular Surface Areas and Volumes and Their Use in Structure/Activity Relationships. In Physical Chemical Properties of Drugs; Yalkowsky, S. H., Sinkula, A. A., Valvani, S. C., Eds.; Marcel Dekker: New York, 1980.
    • (1980) Physical Chemical Properties of Drugs
    • Pearlman, R.S.1
  • 20
    • 11744325593 scopus 로고    scopus 로고
    • Approach to estimation and prediction for normal boiling point (nbp) of alkanes based on a novel molecular distance edge (mde) vector, lambda
    • Liu, S.; Cao, C.; Li, Z. Approach to estimation and prediction for normal boiling point (nbp) of alkanes based on a novel molecular distance edge (mde) vector, lambda. J. Chem. Inf. Comput Sci. 1998, 38, 387-394.
    • (1998) J. Chem. Inf. Comput Sci. , vol.38 , pp. 387-394
    • Liu, S.1    Cao, C.2    Li, Z.3
  • 21
    • 0017033395 scopus 로고
    • Molecular connectivity VII: Specific treatment to heteroatoms
    • Kier, L. B.; Hall, L. H. Molecular connectivity VII: Specific treatment to heteroatoms. J. Pharm. Sci. 1976, 65, 1806-1809.
    • (1976) J. Pharm. Sci. , vol.65 , pp. 1806-1809
    • Kier, L.B.1    Hall, L.H.2
  • 24
    • 0016771380 scopus 로고
    • Molecular connectivity I: Relationship to local anesthesia
    • Kier, L. B.; Hall, L. H.; Murray, W. J. Molecular connectivity I: Relationship to local anesthesia. J. Pharm. Sci. 1975, 64.
    • (1975) J. Pharm. Sci. , pp. 64
    • Kier, L.B.1    Hall, L.H.2    Murray, W.J.3
  • 25
    • 10344253046 scopus 로고
    • Development and use of charged partial surface area structural descriptors in computer assissted quantitative structure property relationship studies
    • Stanton, D. T.; Jurs, P. C. Development and Use of Charged Partial Surface Area Structural Descriptors in Computer Assissted Quantitative Structure Property Relationship Studies. Anal. Chem. 1990, 62, 2323-2329.
    • (1990) Anal. Chem. , vol.62 , pp. 2323-2329
    • Stanton, D.T.1    Jurs, P.C.2
  • 26
    • 2942717194 scopus 로고    scopus 로고
    • Development and use of hydrophobic surface area (HSA) descriptors for computer assisted quantitative structure-activity and structure-property relationships
    • ASAP article
    • Stanton, D. T.; Mattioni, B. E.; Knittel, J. J.; Jurs, P. C. Development and Use of Hydrophobic Surface Area (HSA) Descriptors for Computer Assisted Quantitative Structure-Activity and Structure-Property Relationships. J. Chem. Inf. Comput. Sci. 2004, ASAP article.
    • (2004) J. Chem. Inf. Comput. Sci.
    • Stanton, D.T.1    Mattioni, B.E.2    Knittel, J.J.3    Jurs, P.C.4
  • 27
    • 0029230341 scopus 로고
    • Automated descriptor selection for quantitative structure-activity relationships using generalized simulated annealing
    • Sutter, J. M.; Dixon, S. L.; Jurs, P. C. Automated Descriptor Selection For Quantitative Structure-Activity Relationships Using Generalized Simulated Annealing. J. Chem. Inf. Comput Sci. 1995, 35, 77-84.
    • (1995) J. Chem. Inf. Comput Sci. , vol.35 , pp. 77-84
    • Sutter, J.M.1    Dixon, S.L.2    Jurs, P.C.3
  • 32
    • 0028287738 scopus 로고
    • Quantitative structure-activity relationships for toxicity of phenols using regression analysis and computational neural networks
    • Lu, X.; Ball, J. W.; Dixon, S. L.; Jurs, P. C. Quantitative Structure-Activity Relationships for Toxicity of Phenols Using Regression Analysis and Computational Neural Networks. Environ. Toxicol. Chem. 1994, 13, 841-851.
    • (1994) Environ. Toxicol. Chem. , vol.13 , pp. 841-851
    • Lu, X.1    Ball, J.W.2    Dixon, S.L.3    Jurs, P.C.4
  • 33
    • 12044254082 scopus 로고
    • Prediction of reduced ion mobility constants from structural information using multiple linear regression analysis and computational neural networks
    • Wessel, M. D.; Jurs, P. C. Prediction of Reduced Ion Mobility Constants from Structural Information Using Multiple Linear Regression Analysis and Computational Neural Networks. Anal. Chem. 1994, 66, 2480-2487.
    • (1994) Anal. Chem. , vol.66 , pp. 2480-2487
    • Wessel, M.D.1    Jurs, P.C.2
  • 34
    • 84880692052 scopus 로고    scopus 로고
    • Proceedings of the Sixteenth International Joint Conference on Artificial Intelligence, A brief introduction to boosting, boosting
    • Schapire, R. E. In A brief introduction to boosting, Proceedings of the Sixteenth International Joint Conference on Artificial Intelligence, 1999; A brief introduction to boosting, boosting.
    • (1999) A Brief Introduction to Boosting
    • Schapire, R.E.1
  • 35
    • 0031211090 scopus 로고    scopus 로고
    • A decision-theoretic generalization of on-line learning and an application to boosting
    • Freund, Y.; Schapire, R. E. A decision-theoretic generalization of on-line learning and an application to boosting. J. Comput. System Sci. 1997, 55, 119-139.
    • (1997) J. Comput. System Sci. , vol.55 , pp. 119-139
    • Freund, Y.1    Schapire, R.E.2
  • 36
    • 0030211964 scopus 로고    scopus 로고
    • Bagging predictors
    • Breiman, L. Bagging Predictors. Machine Learning 1996, 24, 123-140.
    • (1996) Machine Learning , vol.24 , pp. 123-140
    • Breiman, L.1
  • 38
    • 0030769940 scopus 로고    scopus 로고
    • Analysis of large structure-activity data set using recursive partitioning
    • Hawkins, D. M.; Young, S. S.; Rusinko, A. I. Analysis of Large Structure-Activity Data Set Using Recursive Partitioning. Quant. Struct.-Act. Relat. 1997, 16, 296-302.
    • (1997) Quant. Struct.-act. Relat. , vol.16 , pp. 296-302
    • Hawkins, D.M.1    Young, S.S.2    Rusinko, A.I.3
  • 39
    • 0345548657 scopus 로고    scopus 로고
    • Random forest: A classification and regression tool for compound classification and QSAR modeling
    • Svetnik, V.; Liaw, A.; Tong, C.; Culberson, J. C.; Sheridan, R.; Feuston, B. P. Random Forest: A Classification and Regression Tool for Compound Classification and QSAR Modeling. J. Chem. Inf. Comput. Sci. 2003, 43, 1947-1958.
    • (2003) J. Chem. Inf. Comput. Sci. , vol.43 , pp. 1947-1958
    • Svetnik, V.1    Liaw, A.2    Tong, C.3    Culberson, J.C.4    Sheridan, R.5    Feuston, B.P.6
  • 40
    • 4043129529 scopus 로고    scopus 로고
    • The development of QSAR models to predict and interpret the biological activity of artemisinin analogues
    • Guha, R.; Jurs, P. C. The Development of QSAR Models To Predict and Interpret the Biological Activity of Artemisinin Analogues. J. Chem. Inf. Comput. Sci. 2004, 44, 1440-1449.
    • (2004) J. Chem. Inf. Comput. Sci. , vol.44 , pp. 1440-1449
    • Guha, R.1    Jurs, P.C.2
  • 41
    • 0001509942 scopus 로고    scopus 로고
    • Prediction of physicochemical parameters by atomic contributions
    • Wildman, S. A.; Crippen, G. M. Prediction of Physicochemical Parameters by Atomic Contributions. J. Chem. Inf. Comput. Sci. 1999, 39, 868-873.
    • (1999) J. Chem. Inf. Comput. Sci. , vol.39 , pp. 868-873
    • Wildman, S.A.1    Crippen, G.M.2
  • 43
    • 0141890762 scopus 로고    scopus 로고
    • On the physical interpretation of QSAR models
    • Stanton, D. T. On The Physical Interpretation of QSAR Models. J. Chem. Inf. Comput Sci. 2003, 43, 1423-1433.
    • (2003) J. Chem. Inf. Comput Sci. , vol.43 , pp. 1423-1433
    • Stanton, D.T.1
  • 44
    • 4043161913 scopus 로고    scopus 로고
    • Minitab Minitab Inc.: State College, PA
    • Minitab, v. 14; Minitab Minitab Inc.: State College, PA.
    • Minitab, V. 14
  • 47
    • 0021477860 scopus 로고
    • On molecular identification numbers
    • Randic, M. On molecular identification numbers. J. Chem. Inf. Comput. Sci. 1984, 24, 164-175.
    • (1984) J. Chem. Inf. Comput. Sci. , vol.24 , pp. 164-175
    • Randic, M.1
  • 48
    • 33845379303 scopus 로고
    • Atom pairs as molecular features in structure-activity studies: Definition and applications
    • Carhart, R. E.; Smith, D. H.; Venkataraghavan, R. Atom Pairs as Molecular Features in Structure-Activity Studies: Definition and Applications. J. Chem. Inf. Comput. Sci. 1985, 25, 64-73.
    • (1985) J. Chem. Inf. Comput. Sci. , vol.25 , pp. 64-73
    • Carhart, R.E.1    Smith, D.H.2    Venkataraghavan, R.3
  • 49
    • 0023751431 scopus 로고
    • Comparative molecular field analysis (comfa), i. Effect of shape on binding of steroids to carrier protiens
    • Cramer, R. D., III; Patterson, D. E.; Bunce, J. D. Comparative molecular field analysis (comfa), i. effect of shape on binding of steroids to carrier protiens. J. Am. Chem. Soc. 1988, 110, 5959-5967.
    • (1988) J. Am. Chem. Soc. , vol.110 , pp. 5959-5967
    • Cramer III, R.D.1    Patterson, D.E.2    Bunce, J.D.3
  • 50
    • 84987100711 scopus 로고
    • Crossvalidation, bootstrapping and partial least squares compared with multiple regression in conventional qsar studies
    • Cramer III, R. D.; Patterson, D. E.; Bunce, J. D.; Frank, I. E. Crossvalidation, bootstrapping and partial least squares compared with multiple regression in conventional qsar studies. Quant. Struct-Act. Relat. Pharmacol. Chem. Biol. 1988, 7, 18-25.
    • (1988) Quant. Struct-act. Relat. Pharmacol. Chem. Biol. , vol.7 , pp. 18-25
    • Cramer III, R.D.1    Patterson, D.E.2    Bunce, J.D.3    Frank, I.E.4
  • 53
    • 9444296174 scopus 로고
    • Higly discriminating distance based topological index
    • Balaban, A. T. Higly discriminating distance based topological index. Chem. Phys. Lett. 1982, 89, 399-404.
    • (1982) Chem. Phys. Lett. , vol.89 , pp. 399-404
    • Balaban, A.T.1


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