首页> 美国卫生研究院文献>BMC Chemistry >In vitro and in silico studies of terpenes terpenoids and related compounds with larvicidal and pupaecidal activity against Culex quinquefasciatus Say (Diptera: Culicidae)
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In vitro and in silico studies of terpenes terpenoids and related compounds with larvicidal and pupaecidal activity against Culex quinquefasciatus Say (Diptera: Culicidae)

机译:对萜萜类化合物和相关化合物具有杀幼虫和杀ae活性的体外和计算机模拟研究表明对库蚊(Culex quinquefasciatus)说(双翅目:葫芦科)

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摘要

BackgroundIn order to develop new larvicidal agents derived from phytochemicals, the larvicidal activity of fifty molecules that are constituent of essential oils was evaluated against Culex quinquefasciatus Say. Terpenes, terpenoids and phenylpropanoids molecules were included in the in vitro evaluation, and QSAR models using genetic algorithms were built to identify molecular and structural properties of biological interest. Further, to obtain structural details on the possible mechanism of action, selected compounds were submitted to docking studies on sterol carrier protein-2 (SCP-2) as possible target.
机译:背景为了开发新的源自植物化学物质的杀幼虫剂,对构成香精油的五十种分子的杀幼虫活性进行了抗库克斯库克斯(Culex quinquefasciatus)说的评估。萜烯,萜类化合物和苯基丙烷类化合物分子包括在体外评估中,并且使用遗传算法构建了QSAR模型,以鉴定具有生物学意义的分子和结构特性。此外,为了获得有关可能的作用机理的结构细节,将选定的化合物提交了对作为可能靶标的固醇载体蛋白2(SCP-2)的对接研究。

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