In silico models for predicting vector control chemicals targeting Aedes aegypti.
In silico models for predicting vector control chemicals targeting Aedes aegypti.
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DOI：
10.1080/1062936x.2014.958291
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发表时间：
2014
影响因子：
3
通讯作者：
Yébakima A
中科院分区：
文献类型：
--
作者：
Devillers J;Lagneau C;Lattes A;Garrigues JC;Clémenté MM;Yébakima A
由于多种因素，包括疫苗开发缺乏进展、缺乏药物、蚊子对杀虫剂产生抗药性、气候变化、社会行为和经济限制，人类虫媒病毒性疾病在世界许多国家出现或重新出现。因此，埃及伊蚊是黄热病和登革热黄病毒的主要媒介，也是最近几次基孔肯雅甲病毒暴发的原因。至于其他种类的蚊子，埃及伊蚊的控制主要依赖于杀虫剂的使用。然而，由于对不同种类杀虫剂的抵抗力不断增强，减少伊蚊种群变得越来越困难。尽管杀虫剂在防治蚊子种群方面具有无可置疑的效用，但用于病媒控制的新杀虫剂很少开发和商业化。这是因为发现一种杀虫剂的高成本并没有被病媒控制市场的“低盈利”所抵消。幸运的是，使用定量结构-活性关系（QSAR）模型可以减少发现对蚊子有潜在活性的新化学结构的时间和成本。在此背景下，本研究的目的是回顾所有现有的埃及伊蚊QSAR模型。并对其同源性和药效团模型进行了综述。特别注意了在伊蚊中研究的与蚊子生理和生态有关的靶标的多样性，以及已提出的化学结构的多样性，包括人造和天然物质。
Human arboviral diseases have emerged or re-emerged in numerous countries worldwide due to a number of factors including the lack of progress in vaccine development, lack of drugs, insecticide resistance in mosquitoes, climate changes, societal behaviours, and economical constraints. Thus, Aedes aegypti is the main vector of the yellow fever and dengue fever flaviviruses and is also responsible for several recent outbreaks of the chikungunya alphavirus. As for the other mosquito species, the A. aegypti control relies heavily on the use of insecticides. However, because of increasing resistance to the different families of insecticides, reduction of Aedes populations is becoming increasingly difficult. Despite the unquestionable utility of insecticides in fighting mosquito populations, there are very few new insecticides developed and commercialized for vector control. This is because the high cost of the discovery of an insecticide is not counterbalanced by the ‘low profitability’ of the vector control market. Fortunately, the use of quantitative structure–activity relationship (QSAR) modelling allows the reduction of time and cost in the discovery of new chemical structures potentially active against mosquitoes. In this context, the goal of the present study was to review all the existing QSAR models on A. aegypti. The homology and pharmacophore models were also reviewed. Specific attention was paid to show the variety of targets investigated in Aedes in relation to the physiology and ecology of the mosquito as well as the diversity of the chemical structures which have been proposed, encompassing man-made and natural substances.