对具有驱虫活性的特定化合物的发现的看法——从这里开始?

3区 医学 Q1 Immunology and Microbiology Advances in Parasitology Pub Date : 2020-01-01 Epub Date: 2020-03-04 DOI:10.1016/bs.apar.2019.12.003
Yaqing Jiao, Sarah Preston, Andreas Hofmann, Aya Taki, Jonathan Baell, Bill C H Chang, Abdul Jabbar, Robin B Gasser
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引用次数: 14

摘要

寄生蛔虫(线虫)在全世界的动物中造成大量的发病率和死亡率。驱虫药治疗是控制这些蠕虫的核心,但对大多数市售的兽医和农业用驱虫药的普遍耐药性正在影响控制,因此迫切需要发现新的有效药物。本文综述了寄生性线虫、寄生性线虫感染的治疗和控制以及在寄生性线虫耐药问题下发现新的驱虫药方面的研究进展,并讨论了本课组在筛选具有抗寄生性线虫活性化合物方面取得的一些进展。我们最近的工作重点是发现新的化学实体和已知的药物,具有对扭曲血蜱和其他社会经济上重要的寄生线虫的驱虫活性,以供后续开发。利用全虫表型分析,我们已经筛选了通过产品开发合作伙伴和/或合作者获得的化合物集合,并评估了活性化合物作为驱虫候选物的潜力。通过对5种不同化合物的15333种化学物质的筛选,我们发现了一种新的化学实体(指定为SN00797439),两种人类激酶抑制剂(SNS-032和AG-1295), 14种四氢喹啉类似物,一种杀虫剂(tolfenpyrad)和两种tolfenpyrad (pyrazol -5-carboxamide)衍生物(a-15和a-17)具有体外驱虫活性。与特定的人类细胞系相比,这20种“命中”化合物中的一些在体外对H. tortus具有选择性。在我们看来,这些化合物中的一些可能代表“先导”开发的起点。因此,接下来的研究步骤包括:(i)通过构效关系(SAR)评价对代表性化学品进行化学优化;(ii)评估对一系列其他寄生性线虫(如蛔虫、蛔虫、卵体和丝虫)的驱虫活性谱的广度;(iii)对具有广泛杀线虫或抑线虫活性的优化化学品的吸收、分布、代谢、排泄和毒性(ADMET)的详细调查;(四)确立主要候选人的行动方式。
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A perspective on the discovery of selected compounds with anthelmintic activity against the barber's pole worm-Where to from here?

Parasitic roundworms (nematodes) cause substantial morbidity and mortality in animals worldwide. Anthelmintic treatment is central to controlling these worms, but widespread resistance to most of the commercially available anthelmintics for veterinary and agricultural use is compromising control, such that there is an urgency to discover new and effective drugs. The purpose of this article is to review information on parasitic nematodes, the treatment and control of parasitic nematode infections and aspects of discovering new anthelmintics in the context of anthelmintic resistance problems, and then to discuss some progress that our group has made in identifying selected compounds with activity against nematodes. The focus of our recent work has been on discovering new chemical entities and known drugs with anthelmintic activities against Haemonchus contortus as well as other socioeconomically important parasitic nematodes for subsequent development. Using whole worm-based phenotypic assays, we have been screening compound collections obtained via product-development-partnerships and/or collaborators, and active compounds have been assessed for their potential as anthelmintic candidates. Following the screening of 15,333 chemicals from five distinct compound collections against H. contortus, we have discovered one new chemical entity (designated SN00797439), two human kinase inhibitors (SNS-032 and AG-1295), 14 tetrahydroquinoxaline analogues, one insecticide (tolfenpyrad) and two tolfenpyrad (pyrazole-5-carboxamide) derivatives (a-15 and a-17) with anthelmintic activity in vitro. Some of these 20 'hit' compounds have selectivity against H. contortus in vitro when compared to particular human cell lines. In our opinion, some of these compounds could represent starting points for 'lead' development. Accordingly, the next research steps to be pursued include: (i) chemical optimisation of representative chemicals via structure-activity relationship (SAR) evaluations; (ii) assessment of the breadth of spectrum of anthelmintic activity on a range of other parasitic nematodes, such as strongyloids, ascaridoids, enoplids and filarioids; (iii) detailed investigations of the absorption, distribution, metabolism, excretion and toxicity (ADMET) of optimised chemicals with broad nematocidal or nematostatic activity; and (iv) establishment of the modes of action of lead candidates.

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来源期刊
Advances in Parasitology
Advances in Parasitology 医学-寄生虫学
CiteScore
9.00
自引率
0.00%
发文量
28
审稿时长
>12 weeks
期刊介绍: Advances in Parasitology is recognised as a leading review serial which is consistently well placed in terms of impact factor and citations. Major reviews on all aspects of medical, veterinary and wild-life parasitology are considered. The journal provides an outlet for authoritative reviews from experts in the field. While emphasis is given to modern molecular approaches contributions across all disciplines are encouraged including traditional areas such as ecology and taxonomy. Eclectic volumes are supplemented by thematic volumes dedicated to a particular topic of recognised interest and importance.
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