메뉴 건너뛰기




Volumn 59, Issue 5, 2016, Pages 2192-2204

Native State Mass Spectrometry, Surface Plasmon Resonance, and X-ray Crystallography Correlate Strongly as a Fragment Screening Combination

Author keywords

[No Author keywords available]

Indexed keywords

CARBONATE DEHYDRATASE II; CINNAMIC ACID; PHENYLACETIC ACID; SULFONAMIDE; TETRAZOLE DERIVATIVE; CARBONATE DEHYDRATASE INHIBITOR; MOLECULAR LIBRARY;

EID: 84961175129     PISSN: 00222623     EISSN: 15204804     Source Type: Journal    
DOI: 10.1021/acs.jmedchem.5b01940     Document Type: Article
Times cited : (44)

References (71)
  • 1
    • 38849143765 scopus 로고    scopus 로고
    • Carbonic anhydrases: Novel therapeutic applications for inhibitors and activators
    • Supuran, C. T. Carbonic anhydrases: novel therapeutic applications for inhibitors and activators Nat. Rev. Drug Discovery 2008, 7, 168-181 10.1038/nrd2467
    • (2008) Nat. Rev. Drug Discovery , vol.7 , pp. 168-181
    • Supuran, C.T.1
  • 2
    • 42149164854 scopus 로고    scopus 로고
    • Cancer-associated carbonic anhydrases and their inhibition
    • Pastorekova, S.; Zatovicova, M.; Pastorek, J. Cancer-associated carbonic anhydrases and their inhibition Curr. Pharm. Des. 2008, 14, 685-698 10.2174/138161208783877893
    • (2008) Curr. Pharm. Des. , vol.14 , pp. 685-698
    • Pastorekova, S.1    Zatovicova, M.2    Pastorek, J.3
  • 3
    • 84899506318 scopus 로고    scopus 로고
    • Cyclic Secondary Sulfonamides: Unusually Good Inhibitors of Cancer-Related Carbonic Anhydrase Enzymes
    • Moeker, J.; Peat, T. S.; Bornaghi, L. F.; Vullo, D.; Supuran, C. T.; Poulsen, S.-A. Cyclic Secondary Sulfonamides: Unusually Good Inhibitors of Cancer-Related Carbonic Anhydrase Enzymes J. Med. Chem. 2014, 57, 3522-3531 10.1021/jm500255y
    • (2014) J. Med. Chem. , vol.57 , pp. 3522-3531
    • Moeker, J.1    Peat, T.S.2    Bornaghi, L.F.3    Vullo, D.4    Supuran, C.T.5    Poulsen, S.-A.6
  • 6
    • 79960349940 scopus 로고    scopus 로고
    • N-β-Glycosyl sulfamides are selective inhibitors of the cancer associated carbonic anhydrase isoforms IX and XII
    • Rodriguez, O. M.; Maresca, A.; Tempera, C. A.; Bravo, R. D.; Colinas, P. A.; Supuran, C. T. N-β-Glycosyl sulfamides are selective inhibitors of the cancer associated carbonic anhydrase isoforms IX and XII Bioorg. Med. Chem. Lett. 2011, 21, 4447-4450 10.1016/j.bmcl.2011.06.031
    • (2011) Bioorg. Med. Chem. Lett. , vol.21 , pp. 4447-4450
    • Rodriguez, O.M.1    Maresca, A.2    Tempera, C.A.3    Bravo, R.D.4    Colinas, P.A.5    Supuran, C.T.6
  • 9
    • 84874530114 scopus 로고    scopus 로고
    • Natural product coumarins that inhibit human carbonic anhydrases
    • Davis, R. A.; Vullo, D.; Maresca, A.; Supuran, C. T.; Poulsen, S.-A. Natural product coumarins that inhibit human carbonic anhydrases Bioorg. Med. Chem. 2013, 21, 1539-1543 10.1016/j.bmc.2012.07.021
    • (2013) Bioorg. Med. Chem. , vol.21 , pp. 1539-1543
    • Davis, R.A.1    Vullo, D.2    Maresca, A.3    Supuran, C.T.4    Poulsen, S.-A.5
  • 10
    • 77952571665 scopus 로고    scopus 로고
    • Carbonic anhydrase inhibition as a cancer therapy: A review of patent literature, 2007-2009
    • Poulsen, S. Carbonic anhydrase inhibition as a cancer therapy: A review of patent literature, 2007-2009 Expert Opin. Ther. Pat. 2010, 20, 795-806 10.1517/13543776.2010.484803
    • (2010) Expert Opin. Ther. Pat. , vol.20 , pp. 795-806
    • Poulsen, S.1
  • 11
    • 84862869077 scopus 로고    scopus 로고
    • Fragment-Based Approaches in Drug Discovery and Chemical Biology
    • Scott, D. E.; Coyne, A. G.; Hudson, S. A.; Abell, C. Fragment-Based Approaches in Drug Discovery and Chemical Biology Biochemistry 2012, 51, 4990-5003 10.1021/bi3005126
    • (2012) Biochemistry , vol.51 , pp. 4990-5003
    • Scott, D.E.1    Coyne, A.G.2    Hudson, S.A.3    Abell, C.4
  • 12
    • 84860359784 scopus 로고    scopus 로고
    • Finding the sweet spot: The role of nature and nurture in medicinal chemistry
    • Hann, M. M.; Keseru, G. M. Finding the sweet spot: the role of nature and nurture in medicinal chemistry Nat. Rev. Drug Discovery 2012, 11, 355-365 10.1038/nrd3701
    • (2012) Nat. Rev. Drug Discovery , vol.11 , pp. 355-365
    • Hann, M.M.1    Keseru, G.M.2
  • 14
    • 79960994066 scopus 로고    scopus 로고
    • Efficiency of hit generation and structural characterization in fragment-based ligand discovery
    • Larsson, A. M.; Jansson, A.; Aberg, A.; Nordlund, P. Efficiency of hit generation and structural characterization in fragment-based ligand discovery Curr. Opin. Chem. Biol. 2011, 15, 482-488 10.1016/j.cbpa.2011.06.008
    • (2011) Curr. Opin. Chem. Biol. , vol.15 , pp. 482-488
    • Larsson, A.M.1    Jansson, A.2    Aberg, A.3    Nordlund, P.4
  • 15
    • 33745652264 scopus 로고    scopus 로고
    • Applications of ESI-MS in drug discovery: Interrogation of noncovalent complexes
    • Hofstadler, S. A.; Sannes-Lowery, K. A. Applications of ESI-MS in drug discovery: Interrogation of noncovalent complexes Nat. Rev. Drug Discovery 2006, 5, 585-595 10.1038/nrd2083
    • (2006) Nat. Rev. Drug Discovery , vol.5 , pp. 585-595
    • Hofstadler, S.A.1    Sannes-Lowery, K.A.2
  • 16
    • 48349127727 scopus 로고    scopus 로고
    • Mass Spectrometry of Protein-Ligand Complexes: Enhanced Gas-Phase Stability of Ribonuclease-Nucleotide Complexes
    • Yin, S.; Xie, Y.; Loo, J. A. Mass Spectrometry of Protein-Ligand Complexes: Enhanced Gas-Phase Stability of Ribonuclease-Nucleotide Complexes J. Am. Soc. Mass Spectrom. 2008, 19, 1199-1208 10.1016/j.jasms.2008.05.012
    • (2008) J. Am. Soc. Mass Spectrom. , vol.19 , pp. 1199-1208
    • Yin, S.1    Xie, Y.2    Loo, J.A.3
  • 17
    • 74249106137 scopus 로고    scopus 로고
    • Probing the Hydrophobic Effect of Noncovalent Complexes by Mass Spectrometry
    • Bich, C.; Baer, S.; Jecklin, M. C.; Zenobi, R. Probing the Hydrophobic Effect of Noncovalent Complexes by Mass Spectrometry J. Am. Soc. Mass Spectrom. 2010, 21, 286-289 10.1016/j.jasms.2009.10.012
    • (2010) J. Am. Soc. Mass Spectrom. , vol.21 , pp. 286-289
    • Bich, C.1    Baer, S.2    Jecklin, M.C.3    Zenobi, R.4
  • 18
    • 52049123291 scopus 로고    scopus 로고
    • Do enthalpy and entropy distinguish first in class from best in class?
    • Freire, E. Do enthalpy and entropy distinguish first in class from best in class? Drug Discovery Today 2008, 13, 869-874 10.1016/j.drudis.2008.07.005
    • (2008) Drug Discovery Today , vol.13 , pp. 869-874
    • Freire, E.1
  • 19
    • 84926158682 scopus 로고    scopus 로고
    • Applying thermodynamic profiling in lead finding and optimization
    • Klebe, G. Applying thermodynamic profiling in lead finding and optimization Nat. Rev. Drug Discovery 2015, 14, 95-110 10.1038/nrd4486
    • (2015) Nat. Rev. Drug Discovery , vol.14 , pp. 95-110
    • Klebe, G.1
  • 20
    • 35348861993 scopus 로고    scopus 로고
    • Tethering: Fragment-based drug discovery by mass spectrometry
    • In; Wanner, K. T. Höfner, G. Wiley-VCH Verlag GmbH & Co. Weinheim, Vol.
    • Cancilla, M. T.; Erlanson, D. A. Tethering: Fragment-based drug discovery by mass spectrometry. In Mass Spectrometry in Medicinal Chemistry: Applications in Drug Discovery; Wanner, K. T.; Höfner, G., Eds.; Wiley-VCH Verlag GmbH & Co.: Weinheim, 2007; Vol. 36, pp 305-320.
    • (2007) Mass Spectrometry in Medicinal Chemistry: Applications in Drug Discovery , vol.36 , pp. 305-320
    • Cancilla, M.T.1    Erlanson, D.A.2
  • 21
    • 33746268183 scopus 로고    scopus 로고
    • Direct Screening of a Dynamic Combinatorial Library Using Mass Spectrometry
    • Poulsen, S.-A. Direct Screening of a Dynamic Combinatorial Library Using Mass Spectrometry J. Am. Soc. Mass Spectrom. 2006, 17, 1074-1080 10.1016/j.jasms.2006.03.017
    • (2006) J. Am. Soc. Mass Spectrom. , vol.17 , pp. 1074-1080
    • Poulsen, S.-A.1
  • 22
    • 39149104892 scopus 로고    scopus 로고
    • Combined mass spectrometry and dynamic chemistry approach to identify metalloenzyme inhibitors
    • Lienard, B. M. R.; Selevsek, N.; Oldham, N. J.; Schofield, C. J. Combined mass spectrometry and dynamic chemistry approach to identify metalloenzyme inhibitors ChemMedChem 2007, 2, 175-179 10.1002/cmdc.200600250
    • (2007) ChemMedChem , vol.2 , pp. 175-179
    • Lienard, B.M.R.1    Selevsek, N.2    Oldham, N.J.3    Schofield, C.J.4
  • 23
    • 84865574659 scopus 로고    scopus 로고
    • Library Screening by Means of Mass Spectrometry (MS) Binding Assays - Exemplarily Demonstrated for a Pseudostatic Library Addressing γ-Aminobutyric Acid (GABA) Transporter 1 (GAT1)
    • Sindelar, M.; Wanner, K. T. Library Screening by Means of Mass Spectrometry (MS) Binding Assays-Exemplarily Demonstrated for a Pseudostatic Library Addressing γ-Aminobutyric Acid (GABA) Transporter 1 (GAT1) ChemMedChem 2012, 7, 1678-1690 10.1002/cmdc.201200201
    • (2012) ChemMedChem , vol.7 , pp. 1678-1690
    • Sindelar, M.1    Wanner, K.T.2
  • 24
    • 0038338887 scopus 로고    scopus 로고
    • Quantitative Determination of Noncovalent Binding Interactions Using Automated Nanoelectrospray Mass Spectrometry
    • Zhang, S.; Van Pelt, C. K.; Wilson, D. B. Quantitative Determination of Noncovalent Binding Interactions Using Automated Nanoelectrospray Mass Spectrometry Anal. Chem. 2003, 75, 3010-3018 10.1021/ac034089d
    • (2003) Anal. Chem. , vol.75 , pp. 3010-3018
    • Zhang, S.1    Van Pelt, C.K.2    Wilson, D.B.3
  • 25
    • 77956645261 scopus 로고    scopus 로고
    • Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors
    • Drinkwater, N.; Vu, H.; Lovell, K. M.; Criscione, K. R.; Collins, B. M.; Prisinzano, T. E.; Poulsen, S.-A.; McLeish, M. J.; Grunewald, G. L.; Martin, J. L. Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors Biochem. J. 2010, 431, 51-61 10.1042/BJ20100651
    • (2010) Biochem. J. , vol.431 , pp. 51-61
    • Drinkwater, N.1    Vu, H.2    Lovell, K.M.3    Criscione, K.R.4    Collins, B.M.5    Prisinzano, T.E.6    Poulsen, S.-A.7    McLeish, M.J.8    Grunewald, G.L.9    Martin, J.L.10
  • 26
    • 84891900325 scopus 로고    scopus 로고
    • Fragment Screening by Native State Mass Spectrometry
    • Poulsen, S.-A. Fragment Screening by Native State Mass Spectrometry Aust. J. Chem. 2013, 66, 1495-1501 10.1071/CH13190
    • (2013) Aust. J. Chem. , vol.66 , pp. 1495-1501
    • Poulsen, S.-A.1
  • 29
    • 84929173141 scopus 로고    scopus 로고
    • Establish an automated flow injection ESI-MS method for the screening of fragment based libraries: Application to Hsp90
    • Sirtori, F. R.; Caronni, D.; Colombo, M.; Dalvit, C.; Paolucci, M.; Regazzoni, L.; Visco, C.; Fogliatto, G. Establish an automated flow injection ESI-MS method for the screening of fragment based libraries: Application to Hsp90 Eur. J. Pharm. Sci. 2015, 76, 83-94 10.1016/j.ejps.2015.05.001
    • (2015) Eur. J. Pharm. Sci. , vol.76 , pp. 83-94
    • Sirtori, F.R.1    Caronni, D.2    Colombo, M.3    Dalvit, C.4    Paolucci, M.5    Regazzoni, L.6    Visco, C.7    Fogliatto, G.8
  • 30
    • 84954357339 scopus 로고    scopus 로고
    • A Ligand-Observed Mass Spectrometry Approach Integrated into the Fragment Based Lead Discovery Pipeline
    • Chen, X.; Qin, S.; Chen, S.; Li, J.; Li, L.; Wang, Z.; Wang, Q.; Lin, J.; Yang, C.; Shui, W. A Ligand-Observed Mass Spectrometry Approach Integrated into the Fragment Based Lead Discovery Pipeline Sci. Rep. 2015, 5, 8361 10.1038/srep08361
    • (2015) Sci. Rep. , vol.5 , pp. 8361
    • Chen, X.1    Qin, S.2    Chen, S.3    Li, J.4    Li, L.5    Wang, Z.6    Wang, Q.7    Lin, J.8    Yang, C.9    Shui, W.10
  • 32
    • 84884260941 scopus 로고    scopus 로고
    • Discovery and Biophysical Characterization of 2-Amino-oxadiazoles as Novel Antagonists of PqsR, an Important Regulator of Pseudomonas aeruginosa Virulence
    • Zender, M.; Klein, T.; Henn, C.; Kirsch, B.; Maurer, C. K.; Kail, D.; Ritter, C.; Dolezal, O.; Steinbach, A.; Hartmann, R. W. Discovery and Biophysical Characterization of 2-Amino-oxadiazoles as Novel Antagonists of PqsR, an Important Regulator of Pseudomonas aeruginosa Virulence J. Med. Chem. 2013, 56, 6761-6774 10.1021/jm400830r
    • (2013) J. Med. Chem. , vol.56 , pp. 6761-6774
    • Zender, M.1    Klein, T.2    Henn, C.3    Kirsch, B.4    Maurer, C.K.5    Kail, D.6    Ritter, C.7    Dolezal, O.8    Steinbach, A.9    Hartmann, R.W.10
  • 33
    • 39149130730 scopus 로고    scopus 로고
    • Surface plasmon resonance based assay for the detection and characterization of promiscuous inhibitors
    • Giannetti, A. M.; Koch, B. D.; Browner, M. F. Surface plasmon resonance based assay for the detection and characterization of promiscuous inhibitors J. Med. Chem. 2008, 51, 574-580 10.1021/jm700952v
    • (2008) J. Med. Chem. , vol.51 , pp. 574-580
    • Giannetti, A.M.1    Koch, B.D.2    Browner, M.F.3
  • 34
    • 0015267598 scopus 로고
    • Simple pyrimidines. Part XIV. the formation and reactions of some derivatives of simple pyrimidinesulphonic acids
    • Brown, D. J.; Hoskins, J. A. Simple pyrimidines. Part XIV. The formation and reactions of some derivatives of simple pyrimidinesulphonic acids J. Chem. Soc., Perkin Trans. 1 1972, 1, 522-527 10.1039/p19720000522
    • (1972) J. Chem. Soc., Perkin Trans. 1 , vol.1 , pp. 522-527
    • Brown, D.J.1    Hoskins, J.A.2
  • 35
    • 0000974035 scopus 로고
    • Heterocyclic sulfonamides as carbonic anhydrase inhibitors
    • Miller, W. H.; Dessert, A. M.; Roblin, R. O., Jr. Heterocyclic sulfonamides as carbonic anhydrase inhibitors J. Am. Chem. Soc. 1950, 72, 4893-4896 10.1021/ja01167a012
    • (1950) J. Am. Chem. Soc. , vol.72 , pp. 4893-4896
    • Miller, W.H.1    Dessert, A.M.2    Roblin, R.O.3
  • 36
    • 0010912252 scopus 로고
    • The Coupling of α,β-Unsaturated Compounds with Diazonium Salts
    • Koelsch, C. F.; Boekelheide, V. The Coupling of α,β-Unsaturated Compounds with Diazonium Salts J. Am. Chem. Soc. 1944, 66, 412-415 10.1021/ja01231a031
    • (1944) J. Am. Chem. Soc. , vol.66 , pp. 412-415
    • Koelsch, C.F.1    Boekelheide, V.2
  • 37
    • 0019804326 scopus 로고
    • Synthesis of analogues of GABA. VII. (Z)- and (E)-4-Amino-3-(4-chlorophenyl)-but-2-enoic acids as unsaturated baclofen derivatives
    • Allan, R. D.; Tran, H. Synthesis of analogues of GABA. VII. (Z)- and (E)-4-Amino-3-(4-chlorophenyl)-but-2-enoic acids as unsaturated baclofen derivatives Aust. J. Chem. 1981, 34, 2641-2645 10.1071/CH9812641
    • (1981) Aust. J. Chem. , vol.34 , pp. 2641-2645
    • Allan, R.D.1    Tran, H.2
  • 38
    • 0009354264 scopus 로고
    • Synthesis of 1-(α-Acyloxy-2-hydroxybenzyl)azoles and Related Compounds by an Acyl Transfer Reaction
    • Liepa, A. J.; Morton, T. C. Synthesis of 1-(α-Acyloxy-2-hydroxybenzyl)azoles and Related Compounds by an Acyl Transfer Reaction. Aust. J. Chem. 1989, 42, 1961-1968. 10.1071/CH9891961
    • (1989) Aust. J. Chem. , vol.42 , pp. 1961-1968
    • Liepa, A.J.1    Morton, T.C.2
  • 39
    • 0001129716 scopus 로고
    • Tetrazole Analogs of Plant Auxins
    • McManus, J. M.; Herbst, R. M. Tetrazole Analogs of Plant Auxins J. Org. Chem. 1959, 24, 1464-1467 10.1021/jo01092a021
    • (1959) J. Org. Chem. , vol.24 , pp. 1464-1467
    • McManus, J.M.1    Herbst, R.M.2
  • 40
    • 0014598477 scopus 로고
    • Hypocholesterolemic 5-substituted tetrazoles
    • Buchanan, R. L.; Sprancmanis, V.; Partyka, R. A. Hypocholesterolemic 5-substituted tetrazoles J. Med. Chem. 1969, 12, 1001-1006 10.1021/jm00306a008
    • (1969) J. Med. Chem. , vol.12 , pp. 1001-1006
    • Buchanan, R.L.1    Sprancmanis, V.2    Partyka, R.A.3
  • 41
    • 0015581195 scopus 로고
    • Hypocholesterolemic 5-methyltetrazole derivatives
    • Buchanan, R. L.; Sprancmanis, V. Hypocholesterolemic 5-methyltetrazole derivatives J. Med. Chem. 1973, 16, 174-175 10.1021/jm00260a024
    • (1973) J. Med. Chem. , vol.16 , pp. 174-175
    • Buchanan, R.L.1    Sprancmanis, V.2
  • 42
    • 37049139485 scopus 로고
    • Tautomeric N-substituted 2-phenacylisothiouronium bromides
    • Shadbolt, R. S. Tautomeric N-substituted 2-phenacylisothiouronium bromides J. Chem. Soc. C 1971, 1667-1669 10.1039/j39710001667
    • (1971) J. Chem. Soc. C , pp. 1667-1669
    • Shadbolt, R.S.1
  • 43
    • 84860269884 scopus 로고    scopus 로고
    • Metal-ligand interactions: An analysis of zinc binding groups using the Protein Data Bank
    • Kawai, K.; Nagata, N. Metal-ligand interactions: An analysis of zinc binding groups using the Protein Data Bank Eur. J. Med. Chem. 2012, 51, 271-276 10.1016/j.ejmech.2012.02.028
    • (2012) Eur. J. Med. Chem. , vol.51 , pp. 271-276
    • Kawai, K.1    Nagata, N.2
  • 44
    • 72049112279 scopus 로고    scopus 로고
    • Carbonic anhydrase inhibitors. Identification of selective inhibitors of the human mitochondrial isozymes VA and VB over the cytosolic isozymes I and II from a natural product-based phenolic library
    • Davis, R. A.; Innocenti, A.; Poulsen, S.-A.; Supuran, C. T. Carbonic anhydrase inhibitors. Identification of selective inhibitors of the human mitochondrial isozymes VA and VB over the cytosolic isozymes I and II from a natural product-based phenolic library Bioorg. Med. Chem. 2010, 18, 14-18 10.1016/j.bmc.2009.11.021
    • (2010) Bioorg. Med. Chem. , vol.18 , pp. 14-18
    • Davis, R.A.1    Innocenti, A.2    Poulsen, S.-A.3    Supuran, C.T.4
  • 47
    • 0036836947 scopus 로고    scopus 로고
    • 5-Substituted-1H-tetrazoles as Carboxylic Acid Isosteres: Medicinal Chemistry and Synthetic Methods
    • Herr, R. J. 5-Substituted-1H-tetrazoles as Carboxylic Acid Isosteres: Medicinal Chemistry and Synthetic Methods Bioorg. Med. Chem. 2002, 10, 3379-3393 10.1016/S0968-0896(02)00239-0
    • (2002) Bioorg. Med. Chem. , vol.10 , pp. 3379-3393
    • Herr, R.J.1
  • 48
    • 84859195150 scopus 로고    scopus 로고
    • The Hydrogen Bond Environments of 1H-Tetrazole and Tetrazolate Rings: The Structural Basis for Tetrazole-Carboxylic Acid Bioisosterism
    • Allen, F. H.; Groom, C. R.; Liebeschuetz, J. W.; Bardwell, D. A.; Olsson, T. S. G.; Wood, P. A. The Hydrogen Bond Environments of 1H-Tetrazole and Tetrazolate Rings: The Structural Basis for Tetrazole-Carboxylic Acid Bioisosterism J. Chem. Inf. Model. 2012, 52, 857-866 10.1021/ci200521k
    • (2012) J. Chem. Inf. Model. , vol.52 , pp. 857-866
    • Allen, F.H.1    Groom, C.R.2    Liebeschuetz, J.W.3    Bardwell, D.A.4    Olsson, T.S.G.5    Wood, P.A.6
  • 49
    • 84863501358 scopus 로고    scopus 로고
    • Multiple binding modes of inhibitors to carbonic anhydrases: How to design specific drugs targeting 15 different isoforms?
    • Alterio, V.; Di Fiore, A.; D'Ambrosio, K.; Supuran, C. T.; De Simone, G. Multiple binding modes of inhibitors to carbonic anhydrases: How to design specific drugs targeting 15 different isoforms? Chem. Rev. 2012, 112, 4421-4468 10.1021/cr200176r
    • (2012) Chem. Rev. , vol.112 , pp. 4421-4468
    • Alterio, V.1    Di Fiore, A.2    D'Ambrosio, K.3    Supuran, C.T.4    De Simone, G.5
  • 50
    • 0027293413 scopus 로고
    • Crystal Structure of the Complex between Human Carbonic Anhydrase II and the Aromatic Inhibitor 1,2,4-Triazole
    • Mangani, S.; Liljas, A. Crystal Structure of the Complex between Human Carbonic Anhydrase II and the Aromatic Inhibitor 1,2,4-Triazole J. Mol. Biol. 1993, 232, 9-14 10.1006/jmbi.1993.1365
    • (1993) J. Mol. Biol. , vol.232 , pp. 9-14
    • Mangani, S.1    Liljas, A.2
  • 51
    • 84970564849 scopus 로고
    • The Synthesis and Reactions of Some 1,4,2-Oxathimin-6(5H)-ones
    • Johnson, W. M.; Littler, S. W.; Skene, C. E. The Synthesis and Reactions of Some 1,4,2-Oxathimin-6(5H)-ones Aust. J. Chem. 1993, 46, 315-324 10.1071/CH9930315
    • (1993) Aust. J. Chem. , vol.46 , pp. 315-324
    • Johnson, W.M.1    Littler, S.W.2    Skene, C.E.3
  • 52
    • 84970614124 scopus 로고
    • The synthesis of perloline, 6-(3,4-dimethoxyphenyl)-5-hydroxy-5,6-dihydrobenzo[c]-[2,7]naphthyridin-4(3H)-one
    • Prager, R. H.; Were, S. T. The synthesis of perloline, 6-(3,4-dimethoxyphenyl)-5-hydroxy-5,6-dihydrobenzo[c]-[2,7]naphthyridin-4(3H)-one Aust. J. Chem. 1983, 36, 1441-1453 10.1071/CH9831441
    • (1983) Aust. J. Chem. , vol.36 , pp. 1441-1453
    • Prager, R.H.1    Were, S.T.2
  • 53
    • 80054760996 scopus 로고    scopus 로고
    • Carbonic anhydrase inhibitors: X-ray crystallographic studies for the binding of N-substituted benzenesulfonamides to human isoform II
    • Di Fiore, A.; Maresca, A.; Alterio, V.; Supuran, C. T.; De Simone, G. Carbonic anhydrase inhibitors: X-ray crystallographic studies for the binding of N-substituted benzenesulfonamides to human isoform II Chem. Commun. 2011, 47, 11636-11638 10.1039/c1cc14575d
    • (2011) Chem. Commun. , vol.47 , pp. 11636-11638
    • Di Fiore, A.1    Maresca, A.2    Alterio, V.3    Supuran, C.T.4    De Simone, G.5
  • 54
    • 13444307044 scopus 로고    scopus 로고
    • Secondary-structure matching (SSM), a new tool for fast protein structure alignment in three dimensions
    • Krissinel, E.; Henrick, K. Secondary-structure matching (SSM), a new tool for fast protein structure alignment in three dimensions Acta Crystallogr., Sect. D: Biol. Crystallogr. 2004, 60, 2256-2268 10.1107/S0907444904026460
    • (2004) Acta Crystallogr., Sect. D: Biol. Crystallogr. , vol.60 , pp. 2256-2268
    • Krissinel, E.1    Henrick, K.2
  • 58
    • 84877938835 scopus 로고    scopus 로고
    • From Small to Powerful: The Fragments Universe and Its "chem-Appeal"
    • Sancineto, L.; Massari, S.; Iraci, N.; Tabarrini, O. From Small to Powerful: The Fragments Universe and Its "Chem-Appeal" Curr. Med. Chem. 2013, 20, 1355-1381 10.2174/09298673113209990111
    • (2013) Curr. Med. Chem. , vol.20 , pp. 1355-1381
    • Sancineto, L.1    Massari, S.2    Iraci, N.3    Tabarrini, O.4
  • 60
    • 79952383501 scopus 로고    scopus 로고
    • From experimental design to validated hits a comprehensive walk-through of fragment lead identification using surface plasmon resonance
    • Giannetti, A. M. From experimental design to validated hits a comprehensive walk-through of fragment lead identification using surface plasmon resonance Methods Enzymol. 2011, 493, 169-218 10.1016/B978-0-12-381274-2.00008-X
    • (2011) Methods Enzymol. , vol.493 , pp. 169-218
    • Giannetti, A.M.1
  • 61
    • 84923922485 scopus 로고    scopus 로고
    • Fragment screening by SPR and advanced application to GPCRs
    • Shepherd, C. A.; Hopkins, A. L.; Navratilova, I. Fragment screening by SPR and advanced application to GPCRs Prog. Biophys. Mol. Biol. 2014, 116, 113-123 10.1016/j.pbiomolbio.2014.09.008
    • (2014) Prog. Biophys. Mol. Biol. , vol.116 , pp. 113-123
    • Shepherd, C.A.1    Hopkins, A.L.2    Navratilova, I.3
  • 64
    • 84899506318 scopus 로고    scopus 로고
    • Cyclic Secondary Sulfonamides: Unusually Good Inhibitors of Cancer-Related Carbonic Anhydrase Enzymes
    • Moeker, J.; Peat, T. S.; Bornaghi, L. F.; Vullo, D.; Supuran, C. T.; Poulsen, S.-A. Cyclic Secondary Sulfonamides: Unusually Good Inhibitors of Cancer-Related Carbonic Anhydrase Enzymes J. Med. Chem. 2014, 57, 3522-3531 10.1021/jm500255y
    • (2014) J. Med. Chem. , vol.57 , pp. 3522-3531
    • Moeker, J.1    Peat, T.S.2    Bornaghi, L.F.3    Vullo, D.4    Supuran, C.T.5    Poulsen, S.-A.6
  • 66
    • 40049083268 scopus 로고    scopus 로고
    • Label-Free Primary Screening and Affinity Ranking of Fragment Libraries Using Parallel Analysis of Protein Panels
    • Hämäläinen, M. D.; Zhukov, A.; Ivarsson, M.; Fex, T.; Gottfries, J.; Karlsson, R.; Björsne, M. Label-Free Primary Screening and Affinity Ranking of Fragment Libraries Using Parallel Analysis of Protein Panels J. Biomol. Screening 2008, 13, 202-209 10.1177/1087057108314651
    • (2008) J. Biomol. Screening , vol.13 , pp. 202-209
    • Hämäläinen, M.D.1    Zhukov, A.2    Ivarsson, M.3    Fex, T.4    Gottfries, J.5    Karlsson, R.6    Björsne, M.7
  • 67
    • 84885838420 scopus 로고    scopus 로고
    • Structural study of interaction between brinzolamide and dorzolamide inhibition of human carbonic anhydrases
    • Pinard, M. A.; Boone, C. D.; Rife, B. D.; Supuran, C. T.; McKenna, R. Structural study of interaction between brinzolamide and dorzolamide inhibition of human carbonic anhydrases Bioorg. Med. Chem. 2013, 21, 7210 10.1016/j.bmc.2013.08.033
    • (2013) Bioorg. Med. Chem. , vol.21 , pp. 7210
    • Pinard, M.A.1    Boone, C.D.2    Rife, B.D.3    Supuran, C.T.4    McKenna, R.5
  • 69
    • 79953747244 scopus 로고    scopus 로고
    • An introduction to data reduction: Space-group determination, scaling and intensity statistics
    • Evans, P. R. An introduction to data reduction: Space-group determination, scaling and intensity statistics Acta Crystallogr., Sect. D: Biol. Crystallogr. 2011, 67, 282-292 10.1107/S090744491003982X
    • (2011) Acta Crystallogr., Sect. D: Biol. Crystallogr. , vol.67 , pp. 282-292
    • Evans, P.R.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.