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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, 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.
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