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OJBTM
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
1Department
of Biotechnology and Medical Engineering, National Insitute of Technology,
Rourkela-769008,
ABSTRACT
Reddy EH, Satpathy GR.,
Identification of potential targets and lead molecules for designing inhibitory
drugs against Chlamydophila pneumoniae, Online J Bioinformatics, 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.