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Current Trends in Biotechnology and Pharmacy Vol. 5 (3) 1318 -1324 July 2011, ISSN 0973-8916 (Print), 2230-7303 (Online) differentiation of cellular systems of parasites which are nonetheless unique for their survival and hence they are considered as avenues for drug/ligand targets. Furthermore, the software tools for homology modelling, simulations and structure-based virtual screening and on-line databases are in turn enhancing the rapid developments in building the repertoire of the receptor and ligand libraries. Therefore, in the present study, the chosen inhibitors viz., ampicillin, amoxicillin, ceftriaxone, cefotaxime, cefepime, meropenem, and calvulanic acid were made to bind in the active site of PBP-1A. Of which, ampicillin has a good docking score (Table-1) and thus, ampicillin is considered as the best inhibitor for PBP-1A of HI (Francis et al., 2003). The Pre-ADME properties of ampicillin (Table-2) are coinciding with the results of Sarah et al., (16). Acknowledgment One of the authors (SK) greatly acknowledges DBT, Govt. of India for providing Bioinformatics Infrastructural Facility. References 1. Jeffery Errington, Richard, A. Daniel and Dirk-Jan Scheffers. (2003). Cytokinesis in Bacteria. Microbiol Mol Biol Rev.67(1); 52-65. 2. Jothi, R., Przytycka, T.M. and Aravind L. (2007). Discovering functional linkages and uncharacterized cellular pathways using phylogenetic profile comparisons: a comprehensive assessment. BMC Bioinformatics, 8:173. 3. Robert D. Fleischmann, Mark D. Adams, Owen White and Rebecca A. Clayton. (1995). Whole-Genome Random Sequencing and Assembly of Haemophilus influenzae Rd. Science. 269: 496-512. 1323 4. Chambers, H. F. (1999) Penicillin-binding protein-mediated resistance in pneumococci and staphylococci. The Journal of Infectious Diseases. 179: S353- S359. 5. Venkatesan, S. K., Shukla, A. K. and Dubey, V. K. (2010). Molecular docking studies of selected tricyclic and quinine derivatives on trypanothione reductase of Leishmania infantum. J. Comp. Chem. 31 (13):2463-2474. 6. Saravanan, P., Venkatesan, S. K., Mohan, C. G., Patra, S. and Dubey V. K. (2010) Mitogen-activated protein kinase 4 of Leishmania parasite as a therapeutic target. Eur. J. Med. Chem. 45, 5662-5670. 7. Jean van Heijenoort. (2007). Lipid Intermediates in the Biosynthesis of Bacterial Peptidoglycan. Microbiol Mol Biol Rev. 71(4): 620–635. 8. Adeline Derouaux, Benoît Wolf, Claudine Fraipont, Eefjan Breukink, Martine Nguyen-Distèche and Mohammed Terrak. (2008). The Monofunctional Glycosyltransferase of Escherichia coli Localizes to the Cell Division Site and Interacts with Penicillin-Binding Protein. J Bacteriol. 190(5): 1831–1834. 9. Shide Liang, Samy O. Meroueh, Guangce Wang, Chao Qiu and Yaoqi Zhou. (2010). Consensus scoring for enriching nearnative structures from protein-protein docking decoys. Proteins. 1; 75(2): 397– 403. 10. Pamela J. Yeh, Matthew J. Hegreness, Aviva Presser Aiden and Roy Kishony. (2009). Drug interactions and the evolution of antibiotic resistance. Nature Reviews Microbiology 7: 460-466. Ramya Jyothi et al
Current Trends in Biotechnology and Pharmacy Vol. 5 (3) 1318 -1324 July 2011, ISSN 0973-8916 (Print), 2230-7303 (Online) 1324 11. Koch, B., Liljefors, T., Persson, T., Nielsen, J., Kjelleberg, S. and Givskov, M. (2005). The LuxR receptor: the sites of interaction with quorum-sensing signals and inhibitors Microbiology. 151: 3589- 3602. 12. Shih-Long Tu, Hsiu-Chen Chen and Li- Wen Ku. (2008). Mechanistic Studies of the Phytochromobilin Synthase HY2 from Arabidopsis. The Journal of Biological Chemistry, 283: 27555-27564. 13. Frank, P.Y. Lin, Enrico Coiera, Ruiting lan and Vitali Sintchenko. (2009). In Silico Priortisation of candidate genes for prokaryaotic gene function discovery: an application of phylogenetic profiles. BMC Bioinformatics, 10:86. 14. Spratt, B. G. (1977) Properties of the penicillin binding proteins of Escherichia coli K12. Journal of Biochem. 14: 342-352. 15. Wu, J., Hu, Z. and DeLisi, C. (2006). Gene annotation and network inference by phylogenetic profiling. BMC Bioinformatics, 7:80. 16. Francis C. Neuhaus and James Baddiley. (2003). A Continuum of Anionic Charge: Structures and Functions of d-Alanyl- Teichoic Acids in Gram-Positive Bacteria. Microbiol Mol Biol Rev 67(4): 686–723. 17. Sarah Lebeer, Jos Vanderleyden and Sigrid C. J. De Keersmaecker.(2008). Genes and Molecules of Lactobacilli Supporting Probiotic Action. Microbiol Mol Biol Rev. 72(4): 728–764. Docking of the penicillin binding protein of Haemophilus influenzae
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(December 7-9, 2011) Venue: Karunya
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