Natlonal Workshop-cum-Tralnlng on BioinfonnaUco and Intomution Management in Aqwcultum Table 2: The predicted active sites <strong>of</strong> Holliday junction DNA helicase RuvB protein. S. No. / Cavity Area 1 Cavitv Volume 1333.5 4. Conclusion Seven common non-human homologous essential genes were identified among C, pneumoniae strains. Out <strong>of</strong> the identified targets Holliday junction DNA helicase RuvB plays important role in DNA recombination and repair. Inhibition <strong>of</strong> this protein stops genomic stability such as to protect genomes from doublestrand breakage or inter-strand cross-linkage [Tuteja et al., 2006; Frick, 20031. The non homogeneity <strong>of</strong> the sequence with the human genome rules out the cross interference <strong>of</strong> the drugs designed specifically against it with the host metabolom. A homology model <strong>of</strong> Holliday junction DNA helicase RuvB was built by homology modeling. The model was validated using Ramachandran's plot, VERIFY3D, ERRAT and PROCHECK and WHAT-IF programs to arrive at a reliable and stable model for structure based drug design. Validation programs showed that the homology model scores are similar to crystal structure <strong>of</strong> the template. Acknowledgement We are also thankful to The Department <strong>of</strong> Biotechnology, Government <strong>of</strong> India for the funds to set up a bioinformatics infrastructure facility at our Department <strong>of</strong> Biotechnology and Medical Engineering, at National <strong>Institute</strong> <strong>of</strong> Technology, Rourkela where this work has been ~erformed. References Binkowski, T.A., Naghibzadeh, S. and Liang, I. (2003). CASTp: Computed Atlas <strong>of</strong> Surface Topography <strong>of</strong> proteins. Nucleic Acids Research, 31, 3352-3355. Bowman, G.D., ODonnell, M. and Kuriyan, 3. (2004) Structural analysis <strong>of</strong> a eukaryotic sliding DNA clamp-clamp loader complex. Nature , 429, 724-730. Cazzola, M.A., Matera, M.G.B. and Blasi, F. (2004). Macrolide and occult infection in asthma. Current Opinion in Pulmonary Medicine, 10, 7-14. Colovos, C. and Yeates, T.O. (1993). Verification <strong>of</strong> protein structures: patterns <strong>of</strong> non-bonded atomic interactions. Protein Science, 2, 1511-1519. Davies, I.M., Brunger, A.T. and Weis, W.I. (2008). Improved structures <strong>of</strong> fulllength p97, an AAA ATPase: implications for mechanisms <strong>of</strong> nucleotidedependent conformational change. Structure, 16, 715-726.
National Workshop-cum-Training on Bldnformatlcs and Information Management in Aquacultum Dutta, A., Singh, S. K., Ghosh, P., Mukhejee, R., Mitter, S, and Bandyopadhyay, D. (2006). In silico identification <strong>of</strong> potential therapeutic targets in the human pathogen Helicobacter pylori. In Silico Biology, 6, 0005. Eisenbeq, D., Luthy, R, and Bowie, 1. U. (1997). VERIFY3D: assessment <strong>of</strong> protein models with three-dimensional pr<strong>of</strong>iles. Methods in Enzymology, 277, 396-404. Frick, D.N. (2003). Helicases as antiviral drug targets. Drug News Perspect, 16, 355. Galperin, M.Y. and Koonin, E.V. (1999). Searching for drug targets in microbial genomes. Current Opinion in Biotechnology, 10, 571-578. Grayston, J.T., Campbell, L.A., Kuo, C.C., Mordhorst, C.H., Saikku, P., Thom, D.H. and Wang, S.P. (1990). A new respiratory tract pathogen: Chlamydiapneumoniae strain TWAR. Journal <strong>of</strong> Infectious Diseases, 161, 618-625. Hahn, D.L. (1999). Chlamydia pneumoniae, asthma, and COPD: what is the evidence. Annals <strong>of</strong> Allergy, Asthma and Immunology. 83, 271-292. Judson, N. and Mekalanos, 1.3. (2000). Transposon-based approaches to identify essential bacterial genes. Trends in Microbiology, 8, 521-526. Kalman, S., Mitchell, W., Marathe, R., Lammel C, Fan, J., Hyman, R.W., Olinger, L, Grimwood, J., Davis, R.W. and Stephens, R.S. (1999). Comparative genomes <strong>of</strong> Chlamydophila pneumoniae and Chlamydophila trachomatis. Nature Genetics, 21, 385-389. Kowalczykowski, S.C. (2000). Initiation <strong>of</strong> genetic recombination and recombination-dependent replication. Trends in Biochemical Sciences, 25 , 156-65. Kroemer, R.T., Doughty, S.W., Robinson, A.J. and Richards, W.G. (1996). Prediction <strong>of</strong> the three-dimensional structure <strong>of</strong> human interleukin-7 by homology modeling. Protein Engineering, 9, 493-498. Laskowski, R.A., MacArthur, M.W., Moss, D.S. and Thornton, J.M. (1993), PROCHECK: a program to check the stereochemical quality <strong>of</strong> protein structures, Journal <strong>of</strong> Applied Crystallography, 26, 283-291. Lipinski, C.A., Lombardo, F., Dominy, B.W. and Feeney, P.J. (2001). Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Advanced Drug Delivery Reviews, 46, 3-26. Moir, D.T., Shaw, K.J. and Hare, R.S. (1999). GF: Genomics and antimicrobial drug discovery. Antimicrobial Agents and Chemotherapy, 43, 439-446. Morris, A.L., MacArthur, M.W., Hutchinson, E.G. and Thornton, J.M. (1992). Stereochemical quality <strong>of</strong> protein structure coordinates. Proteins:Structure,Function,and Bioinformatics, 12, 345-364. Morris, G.M., Goodsell, D.S., Halliday, R.S., Huey, R., Hart, W.E., Belew, R.K. and Olson, A.J. (1998). Automated Docking Using a Lamarckian Genetic Algorithm and and Empirical Binding Free Energy Function. Journal <strong>of</strong> Computational Chemistry, 19, 1639-1662. Oyama, T., Ishino, Y., Cann, I.K.O., Ishino, S. and Morikawa, K. (2001) Atomic Structure <strong>of</strong> the Clamp Loader Small Subunit from Pyrococcus furiosus, Molecular Cell, 8,455-463.
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CONTENTS Name Nagesh K. Barik - ove
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