Molecular-docking study of capsular regulatory protein in Streptococcus pneumoniae portends the novel approach to its treatment

References

• Brooks WA, Breiman FR, Goswami D, et al. Invasive pneumococcal disease burden and implications for vaccine policy in urban Bangladesh. Am JTrop MedHyg. 2007;77(5):795–801.
   Web of Science ®Google Scholar
• World Health Organization (WHO). Causes of child mortality for the year 2008. Geneva: WHO; 2008. Available from: http://www.who.int/gho/child_health/mortality/mortality_causes_text/en/. Accessed April 04, 2011.
   Google Scholar
• Saha SK, Rikitomi N, Biswas D, et al. Serotypes of Streptococcus pneumoniae causing invasive childhood infections in Bangladesh, 1992 to 1995. J Clin Microbiol. 1997;35(3):785–787.
   Web of Science ®Google Scholar
• Moschioni M, Pansegrau W, Barocchi MA. Adhesion determinants of the Streptococcus species. Microb Biotechnol. 2010;3(4):370–388.
   PubMed Web of Science ®Google Scholar
• Aspa J, Rajas O, Rodriguez de Castro F, et al. Drug-Resistant pneumococcal pneumonia: clinical relevance and related factors. Clin Infect Dis. 2004;38(6):787–798.
   Web of Science ®Google Scholar
• Watson DA, Musher DM. Interruption of capsule production in Streptococcus pneumoniae serotype 3 by insertion of transposon Tn916. Infect Immun. 1990;58(9):3135–3138.
   Web of Science ®Google Scholar
• Jiang S, Wang L, Reeves PR. Molecular characterization of Streptococcus pneumoniae type 4, 6B, 8, and 18C capsular polysaccharide gene clusters. Infect Immun. 2001;69(3):1244–1255.
   Web of Science ®Google Scholar
• Bender MH, Cartee RT, Yother J. Positive correlation between tyrosine phosphorylation of CpsD and capsular polysaccharide production in Streptococcus pneumoniae. JBacteriol. 2003;185(20):6057–6066.
   PubMed Web of Science ®Google Scholar
• Sali A, Potterton L, Yuan F, van Vlijmen H, Karplus M. Evaluation of comparative protein modelling by MODELLER. Proteins. 1995;23(3):318–326.
   PubMed Web of Science ®Google Scholar
• Altschul SF, Madden TL, Schaffer AA, et al. Gapped BLAST and PSI- BLAST: a new generation of protein database search programs. Nucleic Acids Res. 1997;25(17):3389–3402.
   PubMed Web of Science ®Google Scholar
• Bourne PE, Addess KJ, Bluhm WF, et al. The distribution and query systems of the RCSB Protein Data Bank. Nucleic Acids Res. 2004;32:D223-D225.
   Web of Science ®Google Scholar
• Larkin M, Blackshields G, Brown N, et al. Clustal W and Clustal X version 2.0. Bioinformatics. 2007;23(21):2947–2948.
   PubMed Web of Science ®Google Scholar
• Laskowski RA, MacArthur MW, Moss DS, Thornton JM. PROCHECK - a program to check the stereochemical quality of protein structures. JApp Cryst. 1993;26:283–291.
   Web of Science ®Google Scholar
• Luethy R, Bowie J, Eisenberg D. Assessment of protein models with three-dimensional profiles. Nature. 1992;356:83–85.
   Web of Science ®Google Scholar
• Colovos C, Yeates TO. Verification of protein structures: patterns of nonbonded atomic interactions. Protein Sci. 1993;2(9):1511–1519.
   PubMed Web of Science ®Google Scholar
• Maiti R, Van Domselaar GH, Zhang H, Wishart DS. SuperPose: a simple server for sophisticated structural superposition. Nucleic Acids Res. 2004;32:W590-W594.
   PubMed Web of Science ®Google Scholar
• Ramachandran GN, Ramakrishnan C, Sasisekharan V. Stereochemistry of polypeptide chain configurations. J Mol Biol. 1963;7:95–99.
   PubMed Web of Science ®Google Scholar
• Irwin JJ, Shoichet BK. ZINC - a free database of commercially available compounds for virtual screening. JChem Inf Model. 2005;45(1):177–182.
   PubMed Web of Science ®Google Scholar
• Morris GM, Huey R, Lindstrom W, et al. AutoDock4 and AutoDock- Tools4: automated docking with selective receptor flexibility. J Comput Chem. 2009;30(16):2785–2791.
   PubMed Web of Science ®Google Scholar
• Hagelueken G, Huang H, Mainprize IL, Whitfield C, Naismith JH. Crystal structures of Wzb of Escherichia coli and CpsB of Streptococcus pneumoniae, representatives of two families of tyrosine phosphatases that regulate capsule assembly. J Mol Biol. 2009;392:678–688. PDB ID: 2WJD.
   PubMed Web of Science ®Google Scholar
• Dundas J, Ouyang Z, Tseng J, Binkowski A, Turpaz Y, Liang J. CASTp: computed atlas of surface topography of proteins with structural and topographical mapping of functionally annotated residues. Nucleic Acids Res. 2006;34:W116-W118.
   PubMed Web of Science ®Google Scholar
• Brooijmans N, Kuntz ID. Molecular recognition and docking algorithms. Annu Rev Biophys Biomol Struct. 2003;32:335–373.
   PubMed Web of Science ®Google Scholar
• Alonsodevelasco E, Verheul AFM, Verhoef J, Snippe H. Streptococcus pneumoniae: virulence factors, pathogenesis, and vaccines. Microbiol Rev. 1995;59(4):591–603.
   PubMedGoogle Scholar
• Morona JK, Morona R, Paton JC. Attachment of capsular polysaccharide to the cell wall of Streptococcus pneumoniae type 2 is required for invasive disease. Proc Natl Acad Sci. 2006;103(22):8505–8510.
   Web of Science ®Google Scholar
• Song JH, Jung SI, Ko KS, Kim NY, Son JS, Chang HH. High prevalence of antimicrobial resistant among clinical Streptococcus pneumoniae isolates in Asia (an ANSORP Study). Antimicrob Agent Chemother. 2004;48:2101–2107.
   PubMed Web of Science ®Google Scholar
• Arnold K, Kiefer F, Kopp J, et al. The protein model portal. J Struct Funct Genomics. 2009;10(1):1–8.
   Google Scholar
• Hillisch A, Pineda LF, Hilgenfeld R. Utility of homology models in the drug discovery process. Drug Discov Today. 2004;9(15):659–669.
   PubMed Web of Science ®Google Scholar
• Peitsch MC. About the use of protein models. BioinformaticsI. 2002;18:934–938.
   Web of Science ®Google Scholar
• Mulakayala C, Banaganapalli BN, Anuradha CM, Chitta SK. Insights from Streptococcus pneumoniae glucose kinase structural model. Bioinformation. 2009;3(7):308–310.
   Google Scholar
• Brueggemann AB, Pai R, Crook DW, Beall B. Vaccine escape recombinants emerge after pneumococcal vaccination in the United States. PLoSPathog. 2007;3(11):e168.
   Web of Science ®Google Scholar
• Lynch JP 3rd, Zhanel GG. Streptococcus pneumoniae: epidemiology and risk factors, evolution of antimicrobial resistance, and impact of vaccines. Curr Opin Pulm Med. 2010;16(3):217–225.
   PubMed Web of Science ®Google Scholar
• Jitendra S, Vinay R. Structure based drug designing of a novel antifla- viviral inhibitor for nonstructural 3 protein. Bioinformation. 2011 ;6(2): 57–60.
   Google Scholar
• Brueggemann AB, Griffiths DT, Meats E, Peto T, Crook DW, Spratt BG. Clonal relationships between invasive and carriage Streptococcus pneumoniae and serotype- and clone-specific differences in invasive disease potential. J Infect Dis. 2003;187(9):1424–1432.
   PubMed Web of Science ®Google Scholar
• Spratt BG, Greenwood BM. Prevention of pneumococcal disease by vaccination: does serotype replacement matter? Lancet. 2000;356(9237):1210–1211.
   Web of Science ®Google Scholar