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Volumn 18, Issue 3, 2009, Pages 206-220

QSAR analysis of N-myristoyltransferase inhibitors: Antifungal activity of benzofurans

Author keywords

3D QSAR; Antifungal; Benzofuran analogues; GFA; N myristoyltransferase

Indexed keywords

ANTIFUNGAL AGENT; BENZOFURAN DERIVATIVE; PROTEIN N MYRISTOYLTRANSFERASE; PROTEIN N MYRISTOYLTRANSFERASE INHIBITOR;

EID: 68849122051     PISSN: 10542523     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00044-008-9120-5     Document Type: Article
Times cited : (14)

References (30)
  • 1
    • 0032796389 scopus 로고    scopus 로고
    • Metabolism-based drug interactions involving oral azole antifungals in humans
    • DOI 10.1081/DMR-100101941
    • MS Benedetti M Bani 1999 Metabolism-based drug interactions involving oral azole antifungals in humans Drug Metab Rev 31 665 717 10.1081/DMR-100101941 (Pubitemid 29390406)
    • (1999) Drug Metabolism Reviews , vol.31 , Issue.3 , pp. 665-717
    • Benedetti, M.S.1    Bani, M.2
  • 4
    • 84987100711 scopus 로고
    • Crossvalidation, bootstrapping, and partial least squares compared with multiple regression in conventional QSAR studies
    • 10.1002/qsar.19880070105
    • RD Cramer III JD Bunce DE Petterson IE Frank 1988 Crossvalidation, bootstrapping, and partial least squares compared with multiple regression in conventional QSAR studies Quant Struct Act Relat 7 18 25 10.1002/qsar. 19880070105
    • (1988) Quant Struct Act Relat , vol.7 , pp. 18-25
    • Cramer Iii, R.D.1    Bunce, J.D.2    Petterson, D.E.3    Frank, I.E.4
  • 6
    • 0024590280 scopus 로고
    • Disruption of the yeast N-myristoyl transferase gene causes recessive lethality
    • 10.1126/science.2644694
    • RJ Duronio DA Towler RO Heuckeroth JI Gordon 1989 Disruption of the yeast N-myristoyl transferase gene causes recessive lethality Science 243 796 800 10.1126/science.2644694
    • (1989) Science , vol.243 , pp. 796-800
    • Duronio, R.J.1    Towler, D.A.2    Heuckeroth, R.O.3    Gordon, J.I.4
  • 8
    • 0033816579 scopus 로고    scopus 로고
    • Understanding the antifungal activity of terbinafine analogues using quantitative structure-activity relationship (QSAR) models
    • DOI 10.1016/S0968-0896(00)00178-4, PII S0968089600001784
    • VM Gokhale VM Kulkarni 2000 Understanding the antifungal activity of terbinafine analogues using quantitative structure-activity relationship (QSAR) models Bioorg Med Chem 8 2487 2499 10.1016/S0968-0896(00)00178-4 (Pubitemid 30686235)
    • (2000) Bioorganic and Medicinal Chemistry , vol.8 , Issue.10 , pp. 2487-2499
    • Gokhale, V.M.1    Kulkarni, V.M.2
  • 9
    • 0034083218 scopus 로고    scopus 로고
    • Selectivity analysis of 5-(arylthio)-2,4-diaminoquinazolines as inhibitors of Candida albicans dihydrofolate reductase by molecular dynamics simulations
    • DOI 10.1023/A:1008189724803
    • VM Gokhale VM Kulkarni 2000 Selectivity analysis of 5-(arylthio)-24- diaminoquinazolines as inhibitors of Candida albicans dihydrofolate reductase by molecular dynamics simulations J Comput Aided Mol Des 14 1573 4951 10.1023/A:1008189724803 (Pubitemid 30386824)
    • (2000) Journal of Computer-Aided Molecular Design , vol.14 , Issue.5 , pp. 495-506
    • Gokhale, V.M.1    Kulkarni, V.M.2
  • 11
    • 0028306245 scopus 로고
    • Genetic and biochemical studies of protein N-myristoylation
    • 10.1146/annurev.bi.63.070194.004253
    • DR Johnson RS Bhatnagar LJ Knoll JI Gordon 1994 Genetic and biochemical studies of protein N-myristoylation Annu Rev Biochem 63 869 914 10.1146/annurev.bi.63.070194.004253
    • (1994) Annu Rev Biochem , vol.63 , pp. 869-914
    • Johnson, D.R.1    Bhatnagar, R.S.2    Knoll, L.J.3    Gordon, J.I.4
  • 12
    • 0035169586 scopus 로고    scopus 로고
    • Three-dimensional quantitative structure - Activity relationship (3D-QSAR) of 3-aryloxazolidin-2-one antibacterials
    • DOI 10.1016/S0968-0896(01)00186-9, PII S0968089601001869
    • RG Karki VM Kulkarni 2001 Three-dimensional quantitative structure-activity relationship (3D-QSAR) of 3-aryloxazolidin-2-one antibacterials Bioorg Med Chem 9 3153 3160 10.1016/S0968-0896(01)00186-9 (Pubitemid 33065615)
    • (2001) Bioorganic and Medicinal Chemistry , vol.9 , Issue.12 , pp. 3153-3160
    • Karki, R.G.1    Kulkarni, V.M.2
  • 13
    • 0035246393 scopus 로고    scopus 로고
    • A feature based pharmacophore for Candida albicans MyristoylCoA: Protein N-myristoyltransferase inhibitors
    • DOI 10.1016/S0223-5234(00)01202-2, PII S0223523400012022
    • RG Karki VM Kulkarni 2001 A feature based Pharmacophore for Candida albicans MyristoylCoA: protein N-myristoyltransferase inhibitors Eur J Med Chem 36 147 163 10.1016/S0223-5234(00)01202-2 (Pubitemid 32304517)
    • (2001) European Journal of Medicinal Chemistry , vol.36 , Issue.2 , pp. 147-163
    • Karki, R.G.1    Kulkarni, V.M.2
  • 14
    • 0035694142 scopus 로고    scopus 로고
    • Computer-aided design and synthesis of Candida albicans N-myristoyltransferase inhibitors as antifungal agents
    • RG Karki VM Kulkarni 2001 Computer-aided design and synthesis of Candida albicans N-myristoyltransferase inhibitors as antifungal agents Indian Drugs 38 406 413
    • (2001) Indian Drugs , vol.38 , pp. 406-413
    • Karki, R.G.1    Kulkarni, V.M.2
  • 20
    • 0037811452 scopus 로고    scopus 로고
    • 3D-QSAR of N-myristoyltransferase inhibiting antifungal agents by CoMFA and CoMSIA methods
    • DOI 10.1016/S0968-0896(03)00305-5
    • P Purushottamachar VM Kulkarni 2003 3D-QSAR of N-myristoyltransferase inhibiting antifungal agents by CoMFA and CoMSIA methods Bioorg Med Chem 5 3487 3497 10.1016/S0968-0896(03)00305-5 (Pubitemid 36870988)
    • (2003) Bioorganic and Medicinal Chemistry , vol.11 , Issue.16 , pp. 3487-3497
    • Purushottamachar, P.1    Kulkarni, V.M.2
  • 21
    • 0042041206 scopus 로고
    • UFF a full periodic table force field for molecular mechanics and molecular dynamics simulations
    • 10.1021/ja00051a040
    • AK Rappe CJ Casewit KS Colwell WA Goddard WM Skiff 1992 UFF a full periodic table force field for molecular mechanics and molecular dynamics simulations J Am Chem Soc 114 10024 10039 10.1021/ja00051a040
    • (1992) J Am Chem Soc , vol.114 , pp. 10024-10039
    • Rappe, A.K.1    Casewit, C.J.2    Colwell, K.S.3    Goddard, W.A.4    Skiff, W.M.5
  • 22
    • 33748481964 scopus 로고
    • Charge equilibration for molecular dynamics simulations
    • 10.1021/j100161a070
    • AK Rappe WA Goddard 1991 Charge equilibration for molecular dynamics simulations J Phys Chem 95 3358 3363 10.1021/j100161a070
    • (1991) J Phys Chem , vol.95 , pp. 3358-3363
    • Rappe, A.K.1    Goddard, W.A.2
  • 23
    • 0028467707 scopus 로고
    • Application of genetic function approximation to quantitative structure-activity relationships and quantitative structure-property relationships
    • 10.1021/ci00020a020
    • D Rogers AJ Hopfinger 1994 Application of genetic function approximation to quantitative structure-activity relationships and quantitative structure-property relationships J Chem Inf Comput Sci 34 854 866 10.1021/ci00020a020
    • (1994) J Chem Inf Comput Sci , vol.34 , pp. 854-866
    • Rogers, D.1    Hopfinger, A.J.2
  • 24
    • 34547804899 scopus 로고    scopus 로고
    • Human protein tyrosine phosphatase 1B inhibitors: QSAR by genetic function approximation
    • DOI 10.1080/14756360601051274, PII 781025707
    • N Sachan SS Kadam VM Kulkarni 2007 Human protein tyrosine phosphatase 1B inhibitors: QSAR by genetic function approximation J Enzyme Inhib Med Chem 22 267 276 10.1080/14756360601051274 (Pubitemid 47225718)
    • (2007) Journal of Enzyme Inhibition and Medicinal Chemistry , vol.22 , Issue.3 , pp. 267-276
    • Sachan, N.1    Kadam, S.S.2    Kulkarni, V.M.3
  • 25
    • 0036775770 scopus 로고    scopus 로고
    • Crystal structures of Candida albicans N-myristoyltransferase with two distinct inhibitors
    • 10.1016/S1074-5521(02)00240-5
    • S Sogabe M Masubuchi K Sakata TA Fukami K Morikami Y Shiratori 2000 Crystal structures of Candida albicans N-myristoyltransferase with two distinct inhibitors Chem Biol 9 1119 1128 10.1016/S1074-5521(02)00240-5
    • (2000) Chem Biol , vol.9 , pp. 1119-1128
    • Sogabe, S.1    Masubuchi, M.2    Sakata, K.3    Fukami, T.A.4    Morikami, K.5    Shiratori, Y.6
  • 26
    • 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
    • 10.1021/ci990020o
    • TT Talele SS Kulkarni VM Kulkarni 1999 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 39 958 966 10.1021/ci990020o
    • (1999) J Chem Inf Comput Sci , vol.39 , pp. 958-966
    • Talele, T.T.1    Kulkarni, S.S.2    Kulkarni, V.M.3
  • 27
    • 39149098444 scopus 로고    scopus 로고
    • A comprehensive analysis of the thermodynamic events involved in ligand-receptor binding using CoRIA and its variants
    • 10.1007/s10822-008-9172-0
    • J Verma VM Khedkar AS Prabhu SA Khedkar AK Malde EC Coutinho 2008 A comprehensive analysis of the thermodynamic events involved in ligand-receptor binding using CoRIA and its variants J Comput Aided Mol Des 22 91 104 10.1007/s10822-008-9172-0
    • (2008) J Comput Aided Mol des , vol.22 , pp. 91-104
    • Verma, J.1    Khedkar, V.M.2    Prabhu, A.S.3    Khedkar, S.A.4    Malde, A.K.5    Coutinho, E.C.6
  • 28
  • 29
    • 0029070249 scopus 로고
    • Genetic studies reveal that myristoylCoA: Protein N-myristoyltransferase is an essential enzyme in Candida albicans
    • 10.1111/j.1365-2958.1995.tb02296.x
    • RA Weinberg CA McWherter SK Freeman DC Wood JI Gordon SC Lee 1995 Genetic studies reveal that myristoylCoA: protein N-myristoyltransferase is an essential enzyme in Candida albicans Mol Microbiol 16 241 250 10.1111/j.1365-2958.1995.tb02296.x
    • (1995) Mol Microbiol , vol.16 , pp. 241-250
    • Weinberg, R.A.1    McWherter, C.A.2    Freeman, S.K.3    Wood, D.C.4    Gordon, J.I.5    Lee, S.C.6
  • 30
    • 0023666521 scopus 로고
    • Acylation of proteins with myristic acid occurs cotranslationally
    • 10.1126/science.3685978
    • C Wilcox JS Hu EN Olson 1987 Acylation of proteins with myristic acid occurs cotranslationally Science 238 275 278 10.1126/science.3685978
    • (1987) Science , vol.238 , pp. 275-278
    • Wilcox, C.1    Hu, J.S.2    Olson, E.N.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.