Chakraborti Sohini, Ramakrishnan Gayatri, Srinivasan Narayanaswamy
Molecular Biophysics Unit, Indian Institute of Science, Bangalore, Karnataka, India.
Indian Institute of Science Mathematics Initiative, Indian Institute of Science, Bangalore, India.
Methods Mol Biol. 2019;1903:45-59. doi: 10.1007/978-1-4939-8955-3_3.
Drug repurposing has garnered much interest as an effective method for drug development among biopharmaceutical companies. The availability of information on complete sequences of genomes and their associated biological data, genotype-phenotype-disease relationships, and properties of small molecules offers opportunities to explore the repurpose-able potential of existing pharmacopoeia. This method gains further importance, especially, in the context of development of drugs against infectious diseases, some of which pose serious complications due to emergence of drug-resistant pathogens. In this article, we describe computational means to achieve potential repurpose-able drug candidates that may be used against infectious diseases by exploring evolutionary relationships between established targets of FDA-approved drugs and proteins of pathogen of interest.
药物重新利用作为生物制药公司进行药物开发的一种有效方法，已引起广泛关注。基因组完整序列及其相关生物学数据、基因型-表型-疾病关系以及小分子特性等信息的可得性，为探索现有药典中可重新利用的潜力提供了机会。这种方法尤为重要，特别是在开发抗传染病药物的背景下，其中一些传染病由于耐药病原体的出现而带来严重并发症。在本文中，我们描述了通过探索FDA批准药物的既定靶点与感兴趣病原体的蛋白质之间的进化关系，来获得可能用于对抗传染病的潜在可重新利用药物候选物的计算方法。
