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Volumn 6, Issue 18, 2014, Pages 2057-2072

Composing compound libraries for hit discovery-rationality-driven preselection or random choice by structural diversity?

Author keywords

[No Author keywords available]

Indexed keywords

PROTEIN INHIBITOR; RECOMBINANT PROTEIN; BACTERIAL PROTEIN; MOLECULAR LIBRARY; PROTEIN BINDING;

EID: 84919783644     PISSN: 17568919     EISSN: 17568927     Source Type: Journal    
DOI: 10.4155/fmc.14.142     Document Type: Article
Times cited : (12)

References (47)
  • 1
    • 10944272743 scopus 로고    scopus 로고
    • Antibacterial resistance worldwide: Causes, challanges and respones
    • Levy SB, Marshall B. Antibacterial resistance worldwide: causes, challanges and respones. Nat. Med. 10(12), S122-S129 (2004
    • (2004) Nat. Med , vol.10 , Issue.12 , pp. S122-S129
    • Levy, S.B.1    Marshall, B.2
  • 2
    • 78951480503 scopus 로고    scopus 로고
    • Pharmaceutical innovation in the 21st century: New drug approvals in the first decade 2000-2009
    • Kaitin KI, Dimasi JA. Pharmaceutical innovation in the 21st century: new drug approvals in the first decade, 2000-2009. Clin. Pharmacol. Ther. 89(2), 183-188 (2011
    • (2011) Clin. Pharmacol. Ther , vol.89 , Issue.2 , pp. 183-188
    • Kaitin, K.I.1    Dimasi, J.A.2
  • 3
    • 40649119273 scopus 로고    scopus 로고
    • What is in the pipeline for Gram-negative pathogens?
    • Talbot GH. What is in the pipeline for Gram-negative pathogens?. Expert Rev. Anti Infect. Ther. 6(1), 39-49 (2008
    • (2008) Expert Rev. Anti Infect. Ther , vol.6 , Issue.1 , pp. 39-49
    • Talbot, G.H.1
  • 4
    • 69949174478 scopus 로고    scopus 로고
    • Has the era of untreatable infections arrived?
    • Livermore DM.Has the era of untreatable infections arrived?. J. Antimicrob. Chemother. 64(4), 29-36 (2009
    • (2009) J. Antimicrob. Chemother , vol.64 , Issue.4 , pp. 29-36
    • Livermore, D.M.1
  • 5
    • 0036290198 scopus 로고    scopus 로고
    • Mechanism of antibiotic resistance in Pseudomonas aeruginosa
    • Lambert PA. Mechanism of antibiotic resistance in Pseudomonas aeruginosa. J. R. Soc. Med. 95, 22-26 (2002
    • (2002) J. R. Soc. Med , vol.95 , pp. 22-26
    • Lambert, P.A.1
  • 6
    • 23444456920 scopus 로고
    • Prevention of drug access to bacterial targets -permeability barriers and active efflux
    • Nikaido H. Prevention of drug access to bacterial targets -permeability barriers and active efflux. Science. 264(5157), 382-388 (1994
    • (1994) Science , vol.264 , Issue.5157 , pp. 382-388
    • Nikaido, H.1
  • 7
    • 55849142244 scopus 로고    scopus 로고
    • New anti-tuberculosis drugs in clinical trials with novel mechanisms of action
    • Rivers EC, Mancera RL. New anti-tuberculosis drugs in clinical trials with novel mechanisms of action. Drug Discov. Today 13(23-24), 1090-1098 (2008
    • (2008) Drug Discov. Today , vol.13 , Issue.23-24 , pp. 1090-1098
    • Rivers, E.C.1    Mancera, R.L.2
  • 8
    • 0345549544 scopus 로고    scopus 로고
    • Antibacterials: Are the new entries enough to deal with the emerging resistance problems?
    • Barrett CT, Barrett JF. Antibacterials: are the new entries enough to deal with the emerging resistance problems?. Curr. Opin. Biotechnol. 14(6), 621-626 (2003
    • (2003) Curr. Opin. Biotechnol , vol.14 , Issue.6 , pp. 621-626
    • Barrett, C.T.1    Barrett, J.F.2
  • 9
    • 69549111337 scopus 로고    scopus 로고
    • Antibiotics for emerging pathogens
    • Fischbach MA, Welsh CT. Antibiotics for emerging pathogens. Science 325(5944), 1089-1093 (2009
    • (2009) Science , vol.325 , Issue.5944 , pp. 1089-1093
    • Fischbach, M.A.1    Welsh, C.T.2
  • 10
    • 80051995882 scopus 로고    scopus 로고
    • The identification of quality antibacterial drug discovery targets: A case study with aminoacyl-tRNA synthetases
    • Gallant P, Finn J, Keith D, Wendler P. The identification of quality antibacterial drug discovery targets: a case study with aminoacyl-tRNA synthetases. Expert Opin. Ther. Targets 4(1), 1-9 (2000
    • (2000) Expert Opin. Ther. Targets , vol.4 , Issue.1 , pp. 1-9
    • Gallant, P.1    Finn, J.2    Keith, D.3    Wendler, P.4
  • 11
    • 77956622674 scopus 로고    scopus 로고
    • Fragment screening by surface plasmon resonance
    • Navratilova I, Hopkins AL. Fragment screening by surface plasmon resonance. ACS Med. Chem. Lett. 1(1), 44-48 (2010
    • (2010) ACS Med. Chem. Lett , vol.1 , Issue.1 , pp. 44-48
    • Navratilova, I.1    Hopkins, A.L.2
  • 12
    • 84872508886 scopus 로고    scopus 로고
    • Parallel screening of low molecular weight fragment libraries: Do differences in methodology affect hit identification?
    • Wielens J, Headey SJ, Rhodes DI et al. Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?. J. Biomol. Screen. 18(2), 147-159 (2013
    • (2013) J. Biomol. Screen , vol.18 , Issue.2 , pp. 147-159
    • Wielens, J.1    Headey, S.J.2    Rhodes, D.I.3
  • 13
    • 36549033318 scopus 로고    scopus 로고
    • Integration of fragment screening and library design
    • Siegal G, Ab E, Schultz J. Integration of fragment screening and library design. Drug Discov. Today 12(23-24), 1032-1039 (2007
    • (2007) Drug Discov. Today , vol.12 , Issue.23-24 , pp. 1032-1039
    • Siegal, G.1    Ab, E.2    Schultz, J.3
  • 14
    • 70349482953 scopus 로고    scopus 로고
    • Novel trends in high-throughput screening
    • Mayr LM, Bojanic D. Novel trends in high-throughput screening. Curr. Opin. Pharmacol. 9(5), 580-588 (2009
    • (2009) Curr. Opin. Pharmacol , vol.9 , Issue.5 , pp. 580-588
    • Mayr, L.M.1    Bojanic, D.2
  • 15
    • 0034237264 scopus 로고    scopus 로고
    • Diversity screening versus focussed screening in drug discovery
    • Valler MJ, Green D. Diversity screening versus focussed screening in drug discovery. Drug Discov. Today 5(7), 286-293 (2000
    • (2000) Drug Discov. Today , vol.5 , Issue.7 , pp. 286-293
    • Valler, M.J.1    Green, D.2
  • 17
    • 0033606951 scopus 로고    scopus 로고
    • Lead generation using pharmacophore mapping and threedimensional database searching: Application to muscarin M 3) receptor antagonists
    • Marriott DP, Dugall IG, Meghani P, Liu YJ, Flower DR. Lead generation using pharmacophore mapping and threedimensional database searching: application to muscarin M(3) receptor antagonists. J. Med. Chem. 42(17), 3210-3216 (1999
    • (1999) J. Med. Chem , vol.42 , Issue.17 , pp. 3210-3216
    • Marriott, D.P.1    Dugall, I.G.2    Meghani, P.3    Liu, Y.J.4    Flower, D.R.5
  • 18
    • 57749107808 scopus 로고    scopus 로고
    • Bad bugs, no drugs: No eskape! An update from infectious diseases society of America
    • Boucher HW, Talbot GH, Bradley JS et al. Bad bugs, no drugs: no eskape! An update from infectious diseases society of America. Clin. Infect. Dis. 48(1), 1-12 (2009
    • (2009) Clin. Infect. Dis , vol.48 , Issue.1 , pp. 1-12
    • Boucher, H.W.1    Talbot, G.H.2    Bradley, J.S.3
  • 19
    • 84867073873 scopus 로고    scopus 로고
    • Validation of PqsD as an anti-biofilm target in Pseudomonas aeruginosa by development of small-molecule inhibitors
    • Storz MP, Maurer CK, Zimmer C et al. Validation of PqsD as an anti-biofilm target in Pseudomonas aeruginosa by development of small-molecule inhibitors. JACS 134(39), 16143-16146 (2012
    • (2012) JACS 134 , vol.39 , pp. 16143-16146
    • Storz, M.P.1    Maurer, C.K.2    Zimmer, C.3
  • 20
    • 56249125949 scopus 로고    scopus 로고
    • Synthesis and biological evaluation of novel sulfonylnaphtalene-1, 4-diols as FabH inhibitors
    • Alhamadsheh MM, Waters NC, Sachdeva S, Lee P, Reynolds KA. Synthesis and biological evaluation of novel sulfonylnaphtalene-1, 4-diols as FabH inhibitors. Bioorg. Med. Chem. Lett. 18(24), 6402-6405 (2008
    • (2008) Bioorg. Med. Chem. Lett , vol.18 , Issue.24 , pp. 6402-6405
    • Alhamadsheh, M.M.1    Waters, N.C.2    Sachdeva, S.3    Lee, P.4    Reynolds, K.A.5
  • 21
    • 0037413576 scopus 로고    scopus 로고
    • First x-ray cocrystal structure of a bacterial FabH condensing enzyme and a small molecule inhibitor achieved using rational design and homology modeling
    • Daines RA, Pendrak I, Sham K et al. First x-ray cocrystal structure of a bacterial FabH condensing enzyme and a small molecule inhibitor achieved using rational design and homology modeling. J. Med. Chem. 46(1), 5-8 (2003
    • (2003) J. Med. Chem , vol.46 , Issue.1 , pp. 5-8
    • Daines, R.A.1    Pendrak, I.2    Sham, K.3
  • 22
    • 66149086944 scopus 로고    scopus 로고
    • Identification of 2-Aminothiazole-4-carboxylate derivates active against Mycobacterium tuberculosis H37Rv and the beta-keto-ACP synthase mtFabH
    • Al-Balas Q, Anthony NG, Al-Jaidi Bet al. Identification of 2-Aminothiazole-4-carboxylate derivates active against Mycobacterium tuberculosis H37Rv and the beta-keto-ACP synthase mtFabH. PloS ONE 4(5), e5617 (2009
    • (2009) PloS ONE , vol.4 , Issue.5 , pp. e5617
    • Al-Balas, Q.1    Anthony, N.G.2    Al-Jaidi, B.3
  • 23
    • 0141433395 scopus 로고    scopus 로고
    • Biphenyl-based analogues of thiolactomycin, active against Mycobacterium tuberculosis mtFabH fatty acid condensing enzyme
    • Senior SJ, Illarionova PA, Gurcha SS et al. Biphenyl-based analogues of thiolactomycin, active against Mycobacterium tuberculosis mtFabH fatty acid condensing enzyme. Bioorg. Med. Chem. Lett. 13(21), 3685-3688 (2003
    • (2003) Bioorg. Med. Chem. Lett , vol.13 , Issue.21 , pp. 3685-3688
    • Senior, S.J.1    Illarionova, P.A.2    Gurcha, S.S.3
  • 24
    • 30444441272 scopus 로고    scopus 로고
    • Structure-Activity relationships at the 5-position of thiolactomycin: An intact (5R)-isoprene unit is required for activity against the condensing enzymes from Mycobacterium tuberculosis and Escherichia coli
    • Kim P, Zhang YM, Shenoy G et al. Structure-Activity relationships at the 5-position of thiolactomycin: an intact (5R)-isoprene unit is required for activity against the condensing enzymes from Mycobacterium tuberculosis and Escherichia coli. J. Med. Chem. 49(1), 159-171 (2006
    • (2006) J. Med. Chem , vol.49 , Issue.1 , pp. 159-171
    • Kim, P.1    Zhang, Y.M.2    Shenoy, G.3
  • 25
    • 20144370577 scopus 로고    scopus 로고
    • Structure-based design, synthesis, and study of potent inhibitors of beta-ketoacyl-Acyl carrier protein synthase III as potential antimicrobial agents
    • Nie Z., Perretta C, Lu J et al. Structure-based design, synthesis, and study of potent inhibitors of beta-ketoacyl-Acyl carrier protein synthase III as potential antimicrobial agents. J. Med. Chem. 48(5), 1596-1609 (2005
    • (2005) J. Med. Chem , vol.48 , Issue.5 , pp. 1596-1609
    • Nie, Z.1    Perretta, C.2    Lu, J.3
  • 26
    • 70149087320 scopus 로고    scopus 로고
    • Structure of PqsD, a Pseudomonas quinolone signal biosynthetic enzyme, in complex with anthranilate
    • Bera AK, Atanasova V, Robinson H et al. Structure of PqsD, a Pseudomonas quinolone signal biosynthetic enzyme, in complex with anthranilate. Biochem. 48(36), 8644-8655 (2009
    • (2009) Biochem , vol.48 , Issue.36 , pp. 8644-8655
    • Bera, A.K.1    Atanasova, V.2    Robinson, H.3
  • 27
    • 84881408976 scopus 로고    scopus 로고
    • Structure optimization of 2-benzamidobenzoic acids as PqsD inhibitors for Pseudomonas aeruginosa infections and elucidation of binding mode by SPR STD NMR, and molecular docking
    • Weidel E, De Jong JC, Brengel C et al. Structure optimization of 2-benzamidobenzoic acids as PqsD inhibitors for Pseudomonas aeruginosa infections and elucidation of binding mode by SPR, STD NMR, and molecular docking. J. Med. Chem. 56(15), 6146-6155 (2013
    • (2013) J. Med. Chem , vol.56 , Issue.15 , pp. 6146-6155
    • Weidel, E.1    De Jong, J.C.2    Brengel, C.3
  • 28
    • 84890852916 scopus 로고    scopus 로고
    • Biochemical and biophysical analysis of a chiral PqsD inhibitor revealing tight-binding behavior and enantiomers with contrary thermodynamic signatures
    • Storz MP, Brengel C, Weidel E et al. Biochemical and biophysical analysis of a chiral PqsD inhibitor revealing tight-binding behavior and enantiomers with contrary thermodynamic signatures. ACS Chem. Biol.8(12), 2794-2801 (2013
    • (2013) ACS Chem. Biol.8 , vol.12 , pp. 2794-2801
    • Storz, M.P.1    Brengel, C.2    Weidel, E.3
  • 29
    • 0034651317 scopus 로고    scopus 로고
    • The 1.8 angstrom crystal structure and active-site architecture of beta-ketoacylacyl carrier protein synthase III (FabH) from Escherichia coli .
    • Davies C, Heath RJ, White SW, Rock CO. The 1.8 angstrom crystal structure and active-site architecture of beta-ketoacylacyl carrier protein synthase III (FabH) from Escherichia coli . Structure 8(2), 185-195 (2000
    • (2000) Structure , vol.8 , Issue.2 , pp. 185-195
    • Davies, C.1    Heath, R.J.2    White, S.W.3    Rock, C.O.4
  • 30
    • 79953716518 scopus 로고    scopus 로고
    • Biosynthesis of 2-Alkyl-4(1H)-quinolones in Pseudomonas aeruginosa: Potential for therapeutic interference with pathogenicity
    • Pistorius D, Ullrich A, Lucas S, Hartmann RW, Kazmaier U, Müller R. Biosynthesis of 2-Alkyl-4(1H)-quinolones in Pseudomonas aeruginosa: potential for therapeutic interference with pathogenicity. Chembiochem 12(6), 850-853 (2011
    • (2011) Chembiochem , vol.12 , Issue.6 , pp. 850-853
    • Pistorius, D.1    Ullrich, A.2    Lucas, S.3    Hartmann, R.W.4    Kazmaier, U.5    Müller, R.6
  • 31
    • 84863208472 scopus 로고    scopus 로고
    • Catalytic enzyme activity on a biosensor chip: Combination of surface plasmon resonance and mass spectrometry
    • Henn C, Boettcher S, Steinbach A, Hartmann RW. Catalytic enzyme activity on a biosensor chip: combination of surface plasmon resonance and mass spectrometry. Anal. Biochem 428(1), 28-30 (2012
    • (2012) Anal. Biochem 428 , vol.1 , pp. 28-30
    • Henn, C.1    Boettcher, S.2    Steinbach, A.3    Hartmann, R.W.4
  • 32
    • 0033003760 scopus 로고    scopus 로고
    • A simple statistic parameter for use in evaluation and validation of high throughput screening assays
    • Zhang JH, Chung TDY, Oldenburg KR. A simple statistic parameter for use in evaluation and validation of high throughput screening assays. J. Biomol. Screen. 4(2), 67-73 (1999
    • (1999) J. Biomol. Screen , vol.4 , Issue.2 , pp. 67-73
    • Zhang, J.H.1    Chung, T.D.Y.2    Oldenburg, K.R.3
  • 33
    • 0031552362 scopus 로고    scopus 로고
    • Development and validation of a genetic algorithm for flexible docking
    • Jones G, Willett P, Glen RC, Leach AR, Taylor R, Development and validation of a genetic algorithm for flexible docking. J. Mol. Biol. 267(3), 727-748 (1997
    • (1997) J. Mol. Biol , vol.267 , Issue.3 , pp. 727-748
    • Jones, G.1    Willett, P.2    Glen, R.C.3    Leach, A.R.4    Taylor, R.5
  • 35
    • 84855757480 scopus 로고    scopus 로고
    • MOE 2010.10. Chemical Computing Group, Quebec, Canada
    • Molecular Operating Environment (MOE)2010.10. Chemical Computing Group, Quebec, Canada (2010
    • (2010) Molecular Operating Environment
  • 37
    • 39149130730 scopus 로고    scopus 로고
    • Surface plasmon resonance based assay for the detection and characterization of promiscuous inhibitors
    • Giannetti AM, Koch BD, Browner MF. Surface plasmon resonance based assay for the detection and characterization of promiscuous inhibitors. J. Med. Chem. 51(3), 574-580 (2008
    • (2008) J. Med. Chem , vol.51 , Issue.3 , pp. 574-580
    • Giannetti, A.M.1    Koch, B.D.2    Browner, M.F.3
  • 39
    • 84868306426 scopus 로고    scopus 로고
    • Pseudomonas aeruginosa directly shunts beta-oxidation degradation intermediates into de novo fatty acid biosynthesis
    • Yuan YQ, Leeds JA, Meredith TC. Pseudomonas aeruginosa directly shunts beta-oxidation degradation intermediates into de novo fatty acid biosynthesis. J. Bacteriol. 194(19), 5185-5196 (2012
    • (2012) J. Bacteriol. , vol.194 , Issue.19 , pp. 5185-5196
    • Yuan, Y.Q.1    Leeds, J.A.2    Meredith, T.C.3
  • 40
    • 84866545927 scopus 로고    scopus 로고
    • Fatty acid biosynthesis in Pseudomonas aeruginosa is initiated by the FabY class of beta-ketoacyl acyl carrier protein synthases
    • Yuan YQ, Sachdeva M, Leeds JA, Meredith TC. Fatty acid biosynthesis in Pseudomonas aeruginosa is initiated by the FabY class of beta-ketoacyl acyl carrier protein synthases. J. Bacteriol. 194(19), 5171-5184 (2012
    • (2012) J. Bacteriol. , vol.194 , Issue.19 , pp. 5171-5184
    • Yuan, Y.Q.1    Sachdeva, M.2    Leeds, J.A.3    Meredith, T.C.4
  • 41
    • 34447517392 scopus 로고    scopus 로고
    • Scaffold composition and biological relevance of screening libraries
    • Shelat AA, Guy RK. Scaffold composition and biological relevance of screening libraries. Nat. Chem. Biol. 3(8), 442-446 (2007
    • (2007) Nat. Chem. Biol. , vol.3 , Issue.8 , pp. 442-446
    • Shelat, A.A.1    Guy, R.K.2
  • 42
    • 0035324944 scopus 로고    scopus 로고
    • Molecular complexity and its impact on the probability of finding leads for drug discovery
    • Hann MM, Leach AR, Harper G. Molecular complexity and its impact on the probability of finding leads for drug discovery . J. Chem. Inf. Comput. Sci. 41(3), 856-864 (2001
    • (2001) J. Chem. Inf. Comput. Sci. , vol.41 , Issue.3 , pp. 856-864
    • Hann, M.M.1    Leach, A.R.2    Harper, G.3
  • 43
    • 1942453243 scopus 로고    scopus 로고
    • Ligand efficiency: A useful metric for lead selection.
    • Hopkins AL, Groom CR, Alex A. Ligand efficiency: a useful metric for lead selection. Drug Discov. Today 9(10), 430-431 (2004
    • (2004) Drug Discov. Today , vol.9 , Issue.10 , pp. 430-431
    • Hopkins, A.L.1    Groom, C.R.2    Alex, A.3
  • 44
    • 60549088370 scopus 로고    scopus 로고
    • Fragment-based discovery of the pyrazol-4-yl-urea (AT9283), a multitargeted kinase inhibitor with potent aurora kinase activity
    • Howard S, Berdini V, Boulstridge JA et al. Fragment-based discovery of the pyrazol-4-yl-urea (AT9283), a multitargeted kinase inhibitor with potent aurora kinase activity. J. Med. Chem. 52(2), 379-388 (2009
    • (2009) J. Med. Chem. , vol.52 , Issue.2 , pp. 379-388
    • Howard, S.1    Berdini, V.2    Boulstridge, J.A.3
  • 45
    • 84902438461 scopus 로고    scopus 로고
    • Ligand efficiency driven design of new inhibitors of Mycobacterium tuberculosis transcriptional repressor EthR using fragment growing, merging and linking approaches
    • Villemagno B, Flipo M, Blondiaux N et al. Ligand efficiency driven design of new inhibitors of Mycobacterium tuberculosis transcriptional repressor EthR using fragment growing, merging and linking approaches. J. Med. Chem. 57(11), 4876-4888 (2014
    • (2014) J. Med. Chem. , vol.57 , Issue.11 , pp. 4876-4888
    • Villemagno, B.1    Flipo, M.2    Blondiaux, N.3
  • 46
    • 84919808768 scopus 로고    scopus 로고
    • Fragment-based discovery of type i inhibitors of maternal embryonic leucine zipper kinase
    • Epub ahead of print
    • Johnson CN, Berdini V, Beke L et al. Fragment-based discovery of type I inhibitors of maternal embryonic leucine zipper kinase. J. Med. Chem. Lett. (2014) (Epub ahead of print
    • (2014) J. Med. Chem. Lett.
    • Johnson, C.N.1    Berdini, V.2    Beke, L.3
  • 47
    • 84887968536 scopus 로고    scopus 로고
    • Combining in silico and biophysical methods for the development of Pseudomonas aeruginosa quorum sensing inhibitors: An alternative approach for structure-based drug design
    • Sahner JH, Brengel C, Storz MP et al. Combining in silico and biophysical methods for the development of Pseudomonas aeruginosa quorum sensing inhibitors: an alternative approach for structure-based drug design. J. Med. Chem. 56(21), 8656-8664 (2013
    • (2013) J. Med. Chem. , vol.56 , Issue.21 , pp. 8656-8664
    • Sahner, J.H.1    Brengel, C.2    Storz, M.P.3


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