Homology Modeling and Molecular Drug Design Approach in Identifying Drug Targets of TIGR4 in Streptococcus pneumonia

Balasankar Karavadi and M. Xavier Suresh

Department of Bioinformatics, Sathyabama University, Chennai - 600119, India.

ABSTRACT: Streptococcus pneumoniae is a respiratory pathogen which is responsible for causing various invasive diseases in humans. TIGR4 is a highly virulent strain under capsular serotype 4. It contains hypothetical proteins synthesized by various coding genes .The efficient degradation of host proteins is an integral aspect of pneumococcal Virulence. In this article we focus on the computational modeling of virulent proteins (Sp_0372, Sp_0192 and Sp_0311) and validating the nature of the proteins as a future drug target of TIGR4 in Streptococcus pneumonia. We have also focused on identifying specific ligands for the above mentioned proteins by using the statistical method of high throughput screening of lead molecules on the basis of structure activity relationship. Finally the lead molecules were validated using ADMET descriptors.

KEYWORDS: Pneumonia Streptococcus pneumonia; TIGR4; hypothetical proteins

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