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鉴定小分子酶抑制剂作为广谱驱虫药。

Identification of small molecule enzyme inhibitors as broad-spectrum anthelmintics.

机构信息

McDonnell Genome Institute, Washington University School of Medicine, 4444 Forest Park Ave, St. Louis, Missouri, 63108, USA.

University of Massachusetts Medical School, Suite 219 Biotech 2, 373 Plantation St., Worcester, Massachusetts, 01605, USA.

出版信息

Sci Rep. 2019 Jun 24;9(1):9085. doi: 10.1038/s41598-019-45548-7.

DOI:10.1038/s41598-019-45548-7
PMID:31235822
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC6591293/
Abstract

Targeting chokepoint enzymes in metabolic pathways has led to new drugs for cancers, autoimmune disorders and infectious diseases. This is also a cornerstone approach for discovery and development of anthelmintics against nematode and flatworm parasites. Here, we performed omics-driven knowledge-based identification of chokepoint enzymes as anthelmintic targets. We prioritized 10 of 186 phylogenetically conserved chokepoint enzymes and undertook a target class repurposing approach to test and identify new small molecules with broad spectrum anthelmintic activity. First, we identified and tested 94 commercially available compounds using an in vitro phenotypic assay, and discovered 11 hits that inhibited nematode motility. Based on these findings, we performed chemogenomic screening and tested 32 additional compounds, identifying 6 more active hits. Overall, 6 intestinal (single-species), 5 potential pan-intestinal (whipworm and hookworm) and 6 pan-Phylum Nematoda (intestinal and filarial species) small molecule inhibitors were identified, including multiple azoles, Tadalafil and Torin-1. The active hit compounds targeted three different target classes in humans, which are involved in various pathways, including carbohydrate, amino acid and nucleotide metabolism. Last, using representative inhibitors from each target class, we demonstrated in vivo efficacy characterized by negative effects on parasite fecundity in hamsters infected with hookworms.

摘要

靶向代谢途径中的关键酶已为癌症、自身免疫性疾病和传染病的新药研发开辟了新途径。这也是针对线虫和扁形虫寄生虫发现和开发驱虫药的基石方法。在这里,我们进行了基于组学的知识驱动型关键酶鉴定,以寻找驱虫药靶点。我们从 186 种系统发育保守的关键酶中确定了 10 种,并采用目标类别再利用方法,测试和鉴定具有广谱驱虫活性的新小分子。首先,我们使用体外表型测定法鉴定并测试了 94 种市售化合物,发现有 11 种化合物能抑制线虫的运动。基于这些发现,我们进行了化学生物基因组筛选,并测试了 32 种额外的化合物,确定了另外 6 种更有效的化合物。总的来说,我们鉴定出了 6 种肠道(单物种)、5 种潜在的全肠道(鞭虫和钩虫)和 6 种全门线虫(肠道和丝虫物种)小分子抑制剂,包括多种唑类化合物、他达拉非和 Torin-1。这些有效化合物的靶点在人体内涉及多种途径,包括碳水化合物、氨基酸和核苷酸代谢的 3 个不同的目标类别。最后,我们使用每个目标类别中的代表性抑制剂,在感染钩虫的仓鼠体内进行了体内疗效研究,证明了这些抑制剂能对寄生虫的繁殖产生负面影响。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2d3b/6591293/0aa9d8ed8940/41598_2019_45548_Fig4_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2d3b/6591293/367d967d81e2/41598_2019_45548_Fig1_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2d3b/6591293/2dd67a1bba47/41598_2019_45548_Fig2_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2d3b/6591293/17364bc470a4/41598_2019_45548_Fig3_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2d3b/6591293/0aa9d8ed8940/41598_2019_45548_Fig4_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2d3b/6591293/367d967d81e2/41598_2019_45548_Fig1_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2d3b/6591293/2dd67a1bba47/41598_2019_45548_Fig2_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2d3b/6591293/17364bc470a4/41598_2019_45548_Fig3_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2d3b/6591293/0aa9d8ed8940/41598_2019_45548_Fig4_HTML.jpg

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