Authors: Ravi V. Gutlapalli; Jyothsna L. Ambaru; Pavani Darla; K.R.S. Sambasiva Rao
Addresses: Department of Biotechnology, Acharya Nagarjuna University Nagarjuna Nagar, Guntur Andhra Pradesh-522510, India ' Department of Biotechnology, Acharya Nagarjuna University Nagarjuna Nagar, Guntur Andhra Pradesh-522510, India ' Osmanaia University College for Women, Osmania University, Hyderabad, Andhra Pradesh, India-500095 ' Department of Biotechnology, Acharya Nagarjuna University, Nagarjuna Nagar, Guntur, Andhra Pradesh-522510, India
Abstract: With the heightened interest in Bacillus anthracis as a potential biological threat agent, novel drug targets identification is of great importance in drug discovery. This study considered a genome-wide approach to identify 270 non-redundant, non-human homologous genes and 103 essential genes of the bacteria as putative drug targets. Sub-cellular localisation of each drug target was annotated using PSORTb 3.0 and confirmation by a hybrid support vector machine analysis identified 16 membrane-bound genes with reliability index ≥4. SPAAN analysis predicted 3 adhesion-like proteins and BLAST against the MEROPS database identified 7 peptidases with inhibitors. As a case study, a homology model was built for the ptsG gene using Modeller 9v8. The work reported here identified a small subset of potential drug targets involved in vital aspects of the metabolism of pathogen, persistence, virulence and cell wall biosynthesis. Thus, this manifold workflow can speed up the process of drug target discovery.
Keywords: Bacillus anthracis; DEG; PSORTb 3.0; SVM; Modeller9v8; drug targets; drug discovery; support vector machines; SVM; homologous genes; adhesion-like proteins; homology modelling; anthrax.
International Journal of Computational Biology and Drug Design, 2012 Vol.5 No.2, pp.164 - 179
Received: 12 Apr 2012
Accepted: 22 May 2012
Published online: 30 Jul 2012 *