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高阶上位性在药物抗性中的相关性。

Relevance of Higher-Order Epistasis in Drug Resistance.

机构信息

Department of Organismic and Evolutionary Biology, Harvard University, Cambridge, MA.

Department of Immunology and Infectious Diseases, Harvard T. H. Chan School of Public Health, Boston, MA.

出版信息

Mol Biol Evol. 2021 Jan 4;38(1):142-151. doi: 10.1093/molbev/msaa196.

Abstract

We studied five chemically distinct but related 1,3,5-triazine antifolates with regard to their effects on growth of a set of mutants in dihydrofolate reductase. The mutants comprise a combinatorially complete data set of all 16 possible combinations of four amino acid replacements associated with resistance to pyrimethamine in the malaria parasite Plasmodium falciparum. Pyrimethamine was a mainstay medication for malaria for many years, and it is still in use in intermittent treatment during pregnancy or as a partner drug in artemisinin combination therapy. Our goal was to investigate the extent to which the alleles yield similar adaptive topographies and patterns of epistasis across chemically related drugs. We find that the adaptive topographies are indeed similar with the same or closely related alleles being fixed in computer simulations of stepwise evolution. For all but one of the drugs the topography features at least one suboptimal fitness peak. Our data are consistent with earlier results indicating that third order and higher epistatic interactions appear to contribute only modestly to the overall adaptive topography, and they are largely conserved. In regard to drug development, our data suggest that higher-order interactions are likely to be of little value as an advisory tool in the choice of lead compounds.

摘要

我们研究了五种化学性质不同但相关的 1,3,5-三嗪类抗叶酸药物,以观察它们对一组二氢叶酸还原酶突变体生长的影响。这些突变体包含了与疟原虫 Plasmodium falciparum 中对乙胺嘧啶耐药性相关的四个氨基酸替换的所有 16 种可能组合的组合完整数据集。乙胺嘧啶是多年来治疗疟疾的主要药物,它仍在妊娠间歇性治疗或作为青蒿素联合疗法的伴侣药物中使用。我们的目标是研究等位基因在化学相关药物中的适应性拓扑结构和上位性模式的相似程度。我们发现,适应性拓扑结构确实相似,相同或密切相关的等位基因在逐步进化的计算机模拟中被固定。除了一种药物外,所有药物的地形特征都至少有一个次优的适应峰值。我们的数据与早期的结果一致,表明三阶及更高阶的上位性相互作用对整体适应性拓扑结构的贡献可能较小,而且它们在很大程度上是保守的。在药物开发方面,我们的数据表明,高阶相互作用作为先导化合物选择的咨询工具可能价值不大。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/14a0/7782864/bb4b7c634b97/msaa196f1.jpg

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