全基因组搜索鉴定炭疽芽孢杆菌的潜在药物靶点。

Q4 Pharmacology, Toxicology and Pharmaceutics International Journal of Computational Biology and Drug Design Pub Date : 2012-01-01 Epub Date: 2012-07-31 DOI:10.1504/IJCBDD.2012.048311
Ravi V Gutlapalli, Jyothsna L Ambaru, Pavani Darla, K R S Sambasiva Rao
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引用次数: 1

摘要

随着炭疽芽孢杆菌作为一种潜在的生物威胁因子受到越来越多的关注,新的药物靶点鉴定在药物开发中具有重要意义。本研究考虑采用全基因组方法鉴定270个非冗余的非人类同源基因和103个细菌必需基因作为假定的药物靶点。使用PSORTb 3.0对每个药物靶点的亚细胞定位进行注释,并通过混合支持向量机分析确认,鉴定出16个可靠性指数≥4的膜结合基因。SPAAN分析预测了3种粘附样蛋白,BLAST针对MEROPS数据库鉴定了7种具有抑制剂的肽酶。以ptsG基因为例,利用modelmodel9v8软件建立了其同源性模型。这里报道的工作确定了一小部分潜在的药物靶点,这些靶点涉及病原体代谢、持久性、毒力和细胞壁生物合成的重要方面。因此,这种多元化的工作流程可以加快药物靶点的发现过程。
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Genome wide search for identification of potential drug targets in Bacillus anthracis.

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.

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来源期刊
International Journal of Computational Biology and Drug Design
International Journal of Computational Biology and Drug Design Pharmacology, Toxicology and Pharmaceutics-Drug Discovery
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8
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