IN-SILICO ANALYSIS AND HOMOLOGY MODELING OF TARGET PROTEINS FOR CLOSTRIDIUM BOTULINUM

The completion of genome sequences of pathogenic bacteria and the completion of human genome project has provided lot amount of data that can be utilized to design vaccines and drug targets. Recently adopting strategies for drug designing is based on comparative genomics approach, it gives a set of genes that are likely to be essential to the pathogen but absent in the host. By performing homology searches and structural modeling we can determine which of these proteins can function as the most effective surface epitope. This provides novel targets for functional inhibitors will result in discovery of novel therapeutic compounds active against bacteria. In this study, we used proteins that are potential target for Clostridium botulinum, this include, MATE efflux family protein, ComEC/Rec2 family protein, formate/nitrite transporter family protein. Physico-chemical characterization interprets properties such as pI, EC, AI, GRAVY and instability index and provides data about these proteins and their properties. Prediction of patterns, disulfide bridges and secondary structure were performed for functional characterization. Three dimensional structures for these proteins were not available as yet at PDB. Therefore, homology models for these proteins were developed. The modeling of the three dimensional structure of these proteins were performed by swiss model & modeller. The models were validated using protein structure checking tools PROCHECK and WHAT IF. These structures will provide a good foundation for functional analysis of experimentally derived crystal structures and also for drug designing.