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Volumn 92, Issue 1, 2008, Pages 10-15

QSAR using evolved neural networks for the inhibition of mutant PfDHFR by pyrimethamine derivatives

Author keywords

Dihydrofolate reductase; Evolutionary computation; Malaria; Neural networks; QSAR

Indexed keywords

DIHYDROFOLATE REDUCTASE; PYRIMETHAMINE;

EID: 39949084319     PISSN: 03032647     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.biosystems.2007.10.005     Document Type: Article
Times cited : (35)

References (30)
  • 1
    • 0036311211 scopus 로고    scopus 로고
    • QSAR studies on biological activity of piritrexium analogues against Pc DHFR
    • Agrawal V.K., Sohgaura R., and Khadikar P.V. QSAR studies on biological activity of piritrexium analogues against Pc DHFR. Bioorg. Med. Chem. 10 (2002) 2919-2926
    • (2002) Bioorg. Med. Chem , vol.10 , pp. 2919-2926
    • Agrawal, V.K.1    Sohgaura, R.2    Khadikar, P.V.3
  • 2
    • 1442326738 scopus 로고    scopus 로고
    • Structure-based approaches to the development of novel anti-malarials
    • Brady R.L., and Cameron A. Structure-based approaches to the development of novel anti-malarials. Curr. Drug Targets 5 (2004) 137-149
    • (2004) Curr. Drug Targets , vol.5 , pp. 137-149
    • Brady, R.L.1    Cameron, A.2
  • 3
    • 1542426115 scopus 로고    scopus 로고
    • Development of neural network QSPR models for Hansch substituent constants 2. Applications in QSAR studies of HIV-1 reverse transcriptase and dihydrofolate reductase inhibitors
    • Chiu T.-L., and So S.-S. Development of neural network QSPR models for Hansch substituent constants 2. Applications in QSAR studies of HIV-1 reverse transcriptase and dihydrofolate reductase inhibitors. J. Chem. Inf. Comput. Sci. 44 (2004) 154-160
    • (2004) J. Chem. Inf. Comput. Sci , vol.44 , pp. 154-160
    • Chiu, T.-L.1    So, S.-S.2
  • 4
    • 0037008362 scopus 로고    scopus 로고
    • Molecular modeling of wild-type and antifolate resistant mutant Plasmodium falciparum DHFR
    • Delfino R.T., Santos-Filho O.A., and Figueroa-Villar J.D. Molecular modeling of wild-type and antifolate resistant mutant Plasmodium falciparum DHFR. Biophys. Chem. 98 (2002) 287-300
    • (2002) Biophys. Chem , vol.98 , pp. 287-300
    • Delfino, R.T.1    Santos-Filho, O.A.2    Figueroa-Villar, J.D.3
  • 8
    • 14944360487 scopus 로고    scopus 로고
    • CoMFA and CoMSIA analyses of Pneumocystis carinii dihydrofolate reductase, and rat liver dihydrofolate reductase
    • Gangjee A., and Lee X. CoMFA and CoMSIA analyses of Pneumocystis carinii dihydrofolate reductase, and rat liver dihydrofolate reductase. J. Med. Chem. 48 (2005) 1448-1469
    • (2005) J. Med. Chem , vol.48 , pp. 1448-1469
    • Gangjee, A.1    Lee, X.2
  • 9
    • 0028315470 scopus 로고
    • The methotrexate story: a paradigm for development of cancer chemotherapeutic agents
    • Huennekens F.M. The methotrexate story: a paradigm for development of cancer chemotherapeutic agents. Adv. Enzyme Regul. 34 (1994) 397
    • (1994) Adv. Enzyme Regul , vol.34 , pp. 397
    • Huennekens, F.M.1
  • 11
    • 0036188538 scopus 로고    scopus 로고
    • Mechanisms of resistance of Plasmodium falciparum to antimalarial drugs
    • Hyde J.E. Mechanisms of resistance of Plasmodium falciparum to antimalarial drugs. Microb. Infect. 4 (2002) 165-174
    • (2002) Microb. Infect , vol.4 , pp. 165-174
    • Hyde, J.E.1
  • 12
    • 0037204544 scopus 로고    scopus 로고
    • Prediction of drug solubility from structure
    • Jorgensen W.L., and Duffy E.M. Prediction of drug solubility from structure. Adv. Drug Deliv. Rev. 54 (2002) 355-366
    • (2002) Adv. Drug Deliv. Rev , vol.54 , pp. 355-366
    • Jorgensen, W.L.1    Duffy, E.M.2
  • 14
    • 0037843661 scopus 로고    scopus 로고
    • 3D QSAR in modern drug design
    • Hillisch A., and Hilgenfeld R. (Eds). Birkhauser Verlag, Switzerland
    • Kellogg G.E., and Semus S.F. 3D QSAR in modern drug design. In: Hillisch A., and Hilgenfeld R. (Eds). Modern Methods of Drug Discovery (2003), Birkhauser Verlag, Switzerland 223-241
    • (2003) Modern Methods of Drug Discovery , pp. 223-241
    • Kellogg, G.E.1    Semus, S.F.2
  • 16
    • 0036120914 scopus 로고    scopus 로고
    • Quantitative structure-activity relationships by evolved neural networks for the inhibition of dihydrofolate reductase by pyrimidines
    • Landavazo D.G., Fogel G.B., and Fogel D.B. Quantitative structure-activity relationships by evolved neural networks for the inhibition of dihydrofolate reductase by pyrimidines. BioSystems 65 (2002) 37-47
    • (2002) BioSystems , vol.65 , pp. 37-47
    • Landavazo, D.G.1    Fogel, G.B.2    Fogel, D.B.3
  • 18
    • 0037352051 scopus 로고    scopus 로고
    • Prediction of dihyrdrofolate reductase inhibition and selectivity using computational neural networks and linear discriminant analysis
    • Mattioni B.E., and Jurs P.C. Prediction of dihyrdrofolate reductase inhibition and selectivity using computational neural networks and linear discriminant analysis. J. Mol. Graph. Model. 21 (2003) 391-419
    • (2003) J. Mol. Graph. Model , vol.21 , pp. 391-419
    • Mattioni, B.E.1    Jurs, P.C.2
  • 19
    • 12844269343 scopus 로고    scopus 로고
    • Structure-based drug discovery for Plasmodium falciparum
    • Mehlin C. Structure-based drug discovery for Plasmodium falciparum. Comb. Chem. High Throughput Screen. 8 (2005) 5-14
    • (2005) Comb. Chem. High Throughput Screen , vol.8 , pp. 5-14
    • Mehlin, C.1
  • 20
    • 3843137418 scopus 로고    scopus 로고
    • Three-dimensional quantitative structure-activity relationship analysis of a set of Plasmodium falciparum dihydrofolate reductase inhibitors using a pharmacophore generation approach
    • Parenti M.D., Pacchioni S., Ferrari A.M., and Rastelli G. Three-dimensional quantitative structure-activity relationship analysis of a set of Plasmodium falciparum dihydrofolate reductase inhibitors using a pharmacophore generation approach. J. Med. Chem. 47 (2004) 4258-4267
    • (2004) J. Med. Chem , vol.47 , pp. 4258-4267
    • Parenti, M.D.1    Pacchioni, S.2    Ferrari, A.M.3    Rastelli, G.4
  • 21
    • 0029324927 scopus 로고
    • Alternative neural network training methods
    • Porto V.W., Fogel D.B., and Fogel L.J. Alternative neural network training methods. IEEE Expert 10 (1995) 16-22
    • (1995) IEEE Expert , vol.10 , pp. 16-22
    • Porto, V.W.1    Fogel, D.B.2    Fogel, L.J.3
  • 22
    • 0014886077 scopus 로고
    • Dihydrofolate reductase inhibitors as antimicrobial agents and their potentiation by sulfonamides
    • Rollo I.M. Dihydrofolate reductase inhibitors as antimicrobial agents and their potentiation by sulfonamides. CRC Crit. Rev. Clin. Lab. Sci. 1 (1970) 565
    • (1970) CRC Crit. Rev. Clin. Lab. Sci , vol.1 , pp. 565
    • Rollo, I.M.1
  • 23
    • 0035146602 scopus 로고    scopus 로고
    • A search for sources of drug resistance by the 4D-QSAR analysis of a set of anti-malarial dihydrofolate reductase inhibitors
    • Santos-Filho O.A., and Hopfinger A.J. A search for sources of drug resistance by the 4D-QSAR analysis of a set of anti-malarial dihydrofolate reductase inhibitors. J. Comp.-Aided Mol. Des. 15 (2001) 1-12
    • (2001) J. Comp.-Aided Mol. Des , vol.15 , pp. 1-12
    • Santos-Filho, O.A.1    Hopfinger, A.J.2
  • 24
    • 33747056890 scopus 로고    scopus 로고
    • Database of antimalarial drug resistance
    • Sibley C.H., and Ringwald P.A. Database of antimalarial drug resistance. Malaria J. 5 (2006) 48-57
    • (2006) Malaria J , vol.5 , pp. 48-57
    • Sibley, C.H.1    Ringwald, P.A.2
  • 26
    • 16644388220 scopus 로고    scopus 로고
    • Three-dimensional quantitative structure-activity and structure-selectivity relationships of dihydrofolate reductase inhibitors
    • Sutherland J.J., and Weaver D.F. Three-dimensional quantitative structure-activity and structure-selectivity relationships of dihydrofolate reductase inhibitors. J. Comp.-Aided Drug Des. 18 (2004) 309-331
    • (2004) J. Comp.-Aided Drug Des , vol.18 , pp. 309-331
    • Sutherland, J.J.1    Weaver, D.F.2
  • 27
    • 0345724883 scopus 로고    scopus 로고
    • Evolutionary optimization, backpropagation, and data preparation issues in QSAR modeling of HIV inhibition by HEPT derivatives
    • Weekes D., and Fogel G.B. Evolutionary optimization, backpropagation, and data preparation issues in QSAR modeling of HIV inhibition by HEPT derivatives. BioSystems 72 (2003) 149-158
    • (2003) BioSystems , vol.72 , pp. 149-158
    • Weekes, D.1    Fogel, G.B.2
  • 28
    • 0033362601 scopus 로고    scopus 로고
    • Evolving artificial neural networks
    • Yao X. Evolving artificial neural networks. Proc. IEEE 87 (1999) 1423-1447
    • (1999) Proc. IEEE , vol.87 , pp. 1423-1447
    • Yao, X.1
  • 29
    • 0036185240 scopus 로고    scopus 로고
    • Basis for antifolate action and resistance in malaria
    • Yuthavong Y. Basis for antifolate action and resistance in malaria. Microb. Infect. 4 (2002) 175-182
    • (2002) Microb. Infect , vol.4 , pp. 175-182
    • Yuthavong, Y.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.