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Online Journal of Bioinformatics©
Volume 10 (1): 14-28, 2009.
Identification of potential targets and lead molecules for designing inhibitory drugs against Chlamydophila pneumoniae.
Reddy EH, Satpathy GR.
Biotechnology and Medical Engineering, National Insitute
of Technology, Rourkela-769008,
Reddy EH, Satpathy GR., Identification of potential targets and lead molecules for designing inhibitory drugs against Chlamydophila pneumoniae, Onl J Bioinform., 10 (1): 14-28, 2009. Whole genome sequences of the human pathogen Chlamydophila pneumoniae and four other strains of same species were analyzed to identify common drug targets. Substractive genomic approach is applied to identify Holliday junction DNA helicase RuvB as the common non human homologous gene among these four strains. Three-dimensional model of the Holliday junction DNA helicase RuvB protein was generated with homology modelling. A set of credible ligands were selected by taking their biological and chemical properties to know the prospect of interaction with the target protein. Docking was done with the different conformations of each ligand. Two lead molecules for designing drugs against the pathogen were identified by considering the physical and chemical aspects of their binding to the protein. This insilico analysis provides rapid and potential approach for identification of drug target and designing of drug lead molecules.
Keywords: Chlamydophila pneumoniae, homology modeling, drug targets, docking, drug design, Holliday junction DNA helicase RuvB, Multiple Sequence Alignment.