Rawls Kristopher, Dougherty Bonnie V, Papin Jason
Department of Biomedical Engineering, University of Virginia, Charlottesville, VA, USA.
Methods Mol Biol. 2020;2088:315-330. doi: 10.1007/978-1-0716-0159-4_14.
The drug development pipeline has stalled because of the difficulty in identifying new drug targets while minimizing off-target effects. Computational methods, such as the use of metabolic network reconstructions, may provide a cost-effective platform to test new hypotheses for drug targets and prevent off-target effects. Here, we summarize available methods to identify drug targets and off-target effects using either reaction-centric, gene-centric, or metabolite-centric approaches with genome-scale metabolic network reconstructions.
由于在识别新的药物靶点并尽量减少脱靶效应方面存在困难，药物研发流程陷入了停滞。计算方法，例如使用代谢网络重建，可能会提供一个具有成本效益的平台来测试关于药物靶点的新假设并预防脱靶效应。在这里，我们总结了利用基因组规模代谢网络重建，采用以反应为中心、以基因为中心或以代谢物为中心的方法来识别药物靶点和脱靶效应的现有方法。
