메뉴 건너뛰기




Volumn 51, Issue 19, 2008, Pages 5984-5992

Discovery of novel nitrobenzothiazole inhibitors for Mycobacterium tuberculosis ATP phosphoribosyl transferase (HisG) through virtual screening

Author keywords

[No Author keywords available]

Indexed keywords

ADENOSINE TRIPHOSPHATE PHOSPHORIBOSYLTRANSFERASE; ENZYME INHIBITOR; KANAMYCIN; NITROBENZOTHIAZOLE INHIBITOR; UNCLASSIFIED DRUG;

EID: 53549091061     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm800328v     Document Type: Article
Times cited : (102)

References (29)
  • 2
    • 33645119729 scopus 로고    scopus 로고
    • Centers for Diseases Control. Emergence of Mycobacterium tuberculosis with extensive resistance to second-line drugs-worldwide 2000-2004. Morbidity and Mortality Weekly Report 2006, 55, 301-305.
    • Centers for Diseases Control. Emergence of Mycobacterium tuberculosis with extensive resistance to second-line drugs-worldwide 2000-2004. Morbidity and Mortality Weekly Report 2006, 55, 301-305.
  • 3
    • 0035940515 scopus 로고    scopus 로고
    • Comprehensive identification of conditionally essential genes in mycobacteria
    • Sassetti, C. M.; Boyd, D. H.; Rubin, E. J. Comprehensive identification of conditionally essential genes in mycobacteria. Proc. Natl. Acad. Sci. U.S.A. 2001, 98, 12712-12717.
    • (2001) Proc. Natl. Acad. Sci. U.S.A , vol.98 , pp. 12712-12717
    • Sassetti, C.M.1    Boyd, D.H.2    Rubin, E.J.3
  • 4
    • 0242407462 scopus 로고    scopus 로고
    • Starvation survival response of Mycobacterium tuberculosis
    • Parish, T. Starvation survival response of Mycobacterium tuberculosis. J. Bacteriol. 2003, 185, 6702-6706.
    • (2003) J. Bacteriol , vol.185 , pp. 6702-6706
    • Parish, T.1
  • 5
    • 0036270739 scopus 로고    scopus 로고
    • Evaluation of a nutrient starvation model of Mycobacterium tuberculosis persistence by gene and protein expression profiling
    • Betts, J. C.; Lukey, P. T.; Robb, L. C.; McAdam, R. A.; Duncan, K. Evaluation of a nutrient starvation model of Mycobacterium tuberculosis persistence by gene and protein expression profiling. Mol. Microbiol. 2002, 43, 717-731.
    • (2002) Mol. Microbiol , vol.43 , pp. 717-731
    • Betts, J.C.1    Lukey, P.T.2    Robb, L.C.3    McAdam, R.A.4    Duncan, K.5
  • 6
    • 0037424269 scopus 로고    scopus 로고
    • Crystal structure of ATP phosphoribosyltransferase from Mycobacterium tuberculosis
    • Cho, Y.; Sharma, V.; Sacchettini, J. C. Crystal structure of ATP phosphoribosyltransferase from Mycobacterium tuberculosis. J. Biol. Chem. 2003, 278, 8333-8339.
    • (2003) J. Biol. Chem , vol.278 , pp. 8333-8339
    • Cho, Y.1    Sharma, V.2    Sacchettini, J.C.3
  • 7
    • 0345869701 scopus 로고    scopus 로고
    • The structure of Escherichia coli ATP-phosphoribosyltransferase. Identification of substrate binding sites and mode of AMP inhibition
    • Lohkamp, B.; McDermott, G.; Campbell, S. A.; Coggins, J. R.; Lapthorn, A. J. The structure of Escherichia coli ATP-phosphoribosyltransferase. Identification of substrate binding sites and mode of AMP inhibition. J. Mol. Biol. 2004, 336, 131-144.
    • (2004) J. Mol. Biol , vol.336 , pp. 131-144
    • Lohkamp, B.1    McDermott, G.2    Campbell, S.A.3    Coggins, J.R.4    Lapthorn, A.J.5
  • 8
    • 26644460421 scopus 로고    scopus 로고
    • Activation of the hetero-octameric ATP phosphoribosyl transferase through subunit interface rearrangement by a tRNA synthetase paralog
    • Champagne, K. S.; Sissler, M.; Larrabee, Y.; Doublié, S.; Francklyn, C. S. Activation of the hetero-octameric ATP phosphoribosyl transferase through subunit interface rearrangement by a tRNA synthetase paralog. J. Biol. Chem. 2005, 280, 34096-34104.
    • (2005) J. Biol. Chem , vol.280 , pp. 34096-34104
    • Champagne, K.S.1    Sissler, M.2    Larrabee, Y.3    Doublié, S.4    Francklyn, C.S.5
  • 9
    • 13444311996 scopus 로고    scopus 로고
    • Regulation of the hetero-octameric ATP phosphoribosyl transferase complex from Thermotoga maritima by a tRNA synthetase-like subunit
    • Vega, M. C.; Zou, P.; Fernandez, F. J.; Murphy, G. E.; Sterner, R.; Popov, A.; Wilmanns, M. Regulation of the hetero-octameric ATP phosphoribosyl transferase complex from Thermotoga maritima by a tRNA synthetase-like subunit. Mol. Microbiol. 2005, 55, 675-686.
    • (2005) Mol. Microbiol , vol.55 , pp. 675-686
    • Vega, M.C.1    Zou, P.2    Fernandez, F.J.3    Murphy, G.E.4    Sterner, R.5    Popov, A.6    Wilmanns, M.7
  • 10
    • 10844263403 scopus 로고    scopus 로고
    • Phosphoribosyltransferase mechanisms and roles in nucleic acid metabolism
    • Schramm, V. L.; Grubmeyer, C. Phosphoribosyltransferase mechanisms and roles in nucleic acid metabolism. Prog. Nucleic Acid Res. Mol. Biol. 2004, 78, 261-304.
    • (2004) Prog. Nucleic Acid Res. Mol. Biol , vol.78 , pp. 261-304
    • Schramm, V.L.1    Grubmeyer, C.2
  • 11
    • 0017116594 scopus 로고
    • Biosynthetic direction substrate kinetics and product inhibition studies on the first enzyme of histidine biosynthesis, adenosine triphosphate phosphoribosyltransferase
    • Morton, D. P.; Parsons, S. M. Biosynthetic direction substrate kinetics and product inhibition studies on the first enzyme of histidine biosynthesis, adenosine triphosphate phosphoribosyltransferase. Arch. Biochem. Biophys. 1976, 175, 677-686.
    • (1976) Arch. Biochem. Biophys , vol.175 , pp. 677-686
    • Morton, D.P.1    Parsons, S.M.2
  • 12
    • 33845572244 scopus 로고    scopus 로고
    • Substrate recognition by the hetero-octameric ATP phosphoribosyltransferase from Lactococcus lactis
    • Champagne, K. S.; Piscitelli, E.; Francklyn, C. S. Substrate recognition by the hetero-octameric ATP phosphoribosyltransferase from Lactococcus lactis. Biochemistry 2006, 45, 14933-14943.
    • (2006) Biochemistry , vol.45 , pp. 14933-14943
    • Champagne, K.S.1    Piscitelli, E.2    Francklyn, C.S.3
  • 13
    • 0017374390 scopus 로고
    • Inhibition of ATP phosphoribosyltransferase by AMP and ADP in the absence and presence of histidine
    • Morton, D. P.; Parsons, S. M. Inhibition of ATP phosphoribosyltransferase by AMP and ADP in the absence and presence of histidine. Arch. Biochem. Biophys. 1977, 181, 643-648.
    • (1977) Arch. Biochem. Biophys , vol.181 , pp. 643-648
    • Morton, D.P.1    Parsons, S.M.2
  • 14
    • 0017198161 scopus 로고
    • Dinitrophenol, dicoumarol and pentachlorophenol as inhibitors and parasite substrates in the ATP phosphoribosyltransferase reaction
    • Dall-Larsen, T.; Kryvi, H.; Klungsoyr, L. Dinitrophenol, dicoumarol and pentachlorophenol as inhibitors and parasite substrates in the ATP phosphoribosyltransferase reaction. Eur. J. Biochem. 1976, 66, 443-446.
    • (1976) Eur. J. Biochem , vol.66 , pp. 443-446
    • Dall-Larsen, T.1    Kryvi, H.2    Klungsoyr, L.3
  • 15
    • 0034864353 scopus 로고    scopus 로고
    • Identification of novel potent inhibitors for ATP-phosphoribosyl transferase using three-dimensional structural database search technique
    • Gohda, K.; Ohta, D.; Kozaki, A.; Fujimori, K.; Mori, I.; Kikuchi, T. Identification of novel potent inhibitors for ATP-phosphoribosyl transferase using three-dimensional structural database search technique. Quant. Struct. - Act. Relat. 2001, 20, 143-147.
    • (2001) Quant. Struct. - Act. Relat , vol.20 , pp. 143-147
    • Gohda, K.1    Ohta, D.2    Kozaki, A.3    Fujimori, K.4    Mori, I.5    Kikuchi, T.6
  • 17
    • 0032738842 scopus 로고    scopus 로고
    • Evaluation of the FlexX incremental construction algorithm for protein-ligand docking
    • Kramer, B.; Rarey, M.; Lengauer, T. Evaluation of the FlexX incremental construction algorithm for protein-ligand docking. Proteins: Struct., Funct., Genet. 1999, 37, 228-241.
    • (1999) Proteins: Struct., Funct., Genet , vol.37 , pp. 228-241
    • Kramer, B.1    Rarey, M.2    Lengauer, T.3
  • 18
    • 84986432941 scopus 로고
    • Automated docking with grid-based energy evaluation
    • Meng, E. C.; Shoichet, B. K.; Kuntz, I. D. Automated docking with grid-based energy evaluation. J. Comput. Chem. 1992, 13, 505-524.
    • (1992) J. Comput. Chem , vol.13 , pp. 505-524
    • Meng, E.C.1    Shoichet, B.K.2    Kuntz, I.D.3
  • 19
    • 0031226772 scopus 로고    scopus 로고
    • Empirical scoring functions. Part I. The development of a fast empirical scoring function to estimate the binding affinity of ligands in receptor complexes
    • Eldridge, M. D.; Murray, C. W.; Auton, T. R.; Paolini, G. V.; Mee, R. P. Empirical scoring functions. Part I. The development of a fast empirical scoring function to estimate the binding affinity of ligands in receptor complexes. J. Comput.-Aided Mol. Des. 1997, 11, 425-445.
    • (1997) J. Comput.-Aided Mol. Des , vol.11 , pp. 425-445
    • Eldridge, M.D.1    Murray, C.W.2    Auton, T.R.3    Paolini, G.V.4    Mee, R.P.5
  • 20
    • 0033545622 scopus 로고    scopus 로고
    • A general and fast scoring function for protein-ligand interactions: A simplified potential approach
    • Muegge, I.; Martin, Y. C. A general and fast scoring function for protein-ligand interactions: a simplified potential approach. J. Med. Chem. 1999, 42, 791-804.
    • (1999) J. Med. Chem , vol.42 , pp. 791-804
    • Muegge, I.1    Martin, Y.C.2
  • 21
    • 0031552362 scopus 로고    scopus 로고
    • Development and validation of a genetic algorithm for flexible docking
    • Jones, G.; Willett, P.; Glen, R. C.; Leach, A. R.; Taylor, R. Development and validation of a genetic algorithm for flexible docking. J. Mol. Biol. 1997, 267, 727-748.
    • (1997) J. Mol. Biol , vol.267 , pp. 727-748
    • Jones, G.1    Willett, P.2    Glen, R.C.3    Leach, A.R.4    Taylor, R.5
  • 23
    • 0035289779 scopus 로고    scopus 로고
    • Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
    • Lipinski, C. A.; Lombardo, F.; Dominy, B. W.; Feeney, P. J. Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Adv. Drug Delivery Rev. 2001, 46, 3-26.
    • (2001) Adv. Drug Delivery Rev , vol.46 , pp. 3-26
    • Lipinski, C.A.1    Lombardo, F.2    Dominy, B.W.3    Feeney, P.J.4
  • 24
    • 0031059866 scopus 로고    scopus 로고
    • Otwinowski, Z.; Minor, W. Processing of X-ray Diffraction Data Collected in Oscillation Mode. In Methods in Enzymology: 276: Macromolecular Crystallography, Part A; Carter, C. W., Sweet, R. M. Eds.; Academic Press.; New York, 1997; pp 307-326.
    • Otwinowski, Z.; Minor, W. Processing of X-ray Diffraction Data Collected in Oscillation Mode. In Methods in Enzymology: Volume 276: Macromolecular Crystallography, Part A; Carter, C. W., Sweet, R. M. Eds.; Academic Press.; New York, 1997; pp 307-326.
  • 26
    • 3543012707 scopus 로고    scopus 로고
    • Brünger, A. T.; Adams, P. D.; Clore, G. M.; DeLano, W. L.; Gros, P.; Grosse.Kunstleve, R. W.; Jiang, J. S.; Kuszewski, J.; Nilges, M.; Pannu, N. S.; Read, R. J.; Rice, L. M.; Simonson, T.; Warren, G. L. Crystallography & NMR system: A new software suite for macromolecular structure determination. Acta Crystallogr., Sect. D: Biol. Crystallogr. 1998, 54, 905-921.
    • Brünger, A. T.; Adams, P. D.; Clore, G. M.; DeLano, W. L.; Gros, P.; Grosse.Kunstleve, R. W.; Jiang, J. S.; Kuszewski, J.; Nilges, M.; Pannu, N. S.; Read, R. J.; Rice, L. M.; Simonson, T.; Warren, G. L. Crystallography & NMR system: A new software suite for macromolecular structure determination. Acta Crystallogr., Sect. D: Biol. Crystallogr. 1998, 54, 905-921.
  • 28
    • 0016786267 scopus 로고
    • Affinity labelling to - SH groups in adenosine triphosphate phosphoribosyl transferase with the dinitrophenyl group from 5-dinitrophenyl-6-mercaptopurine-riboside 5′-phosphate
    • Dall-Larsen, T.; Fasold, H.; Klungsoyr, L.; Kryvi, H.; Meyer, C.; Ortanderl, F. Affinity labelling to - SH groups in adenosine triphosphate phosphoribosyl transferase with the dinitrophenyl group from 5-dinitrophenyl-6-mercaptopurine-riboside 5′-phosphate. Eur. J. Biochem. 1975, 60, 103-107.
    • (1975) Eur. J. Biochem , vol.60 , pp. 103-107
    • Dall-Larsen, T.1    Fasold, H.2    Klungsoyr, L.3    Kryvi, H.4    Meyer, C.5    Ortanderl, F.6
  • 29
    • 0033986977 scopus 로고    scopus 로고
    • Use of genomics and combinatorial chemistry in the development of new antimycobacterial drugs
    • Barry, C.E., III; Slayden, R. A.; Sampson, A. E.; Lee, R. E. Use of genomics and combinatorial chemistry in the development of new antimycobacterial drugs. Biochem. Pharmacol. 2000, 59, 221-231.
    • (2000) Biochem. Pharmacol , vol.59 , pp. 221-231
    • Barry III, C.E.1    Slayden, R.A.2    Sampson, A.E.3    Lee, R.E.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.