Molecular docking and insecticidal activity of Pyrus communis L. extracts against disease vector, Musca domestica L. (Diptera: muscidae)

Ahmed Z. I. Shehata, Esraa A. Elhawary, Mostafa M. Mokhtar, Hassan O. Waheeb, Mohamed Fares, D. E. Emam, Nader A. Bakr, Ahmed M. Sadek, Mohamed A. M. El-Tabakh
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Abstract

ABSTRACT The common housefly (Musca domestica) is widely recognized as a significant pest and can transmit many pathogens. The habitual use of chemical insecticides against housefly has led to detrimental effects on humans, non-target species, and environment. Therefore, there is an urgent demand for new, sustainable alternatives of housefly control. This research investigates the effects of different extracts from common pear (Pyrus communis) leaves on M. domestica larvae, and lifecycle progression. Musca domestica was identified through DNA barcoding, and a sequernce for the COX1 gene was submitted to NCBI gene bank, with accession number of OQ363313. Results showed that extracts from P. communis leaves were lethal to the larvae at 650 and 150 ppm, respectively, with the n-hexane extract proving to be more efficacious. Also, tested extracts prolonged developmental stages of both larvae and pupae. Females emerged from treated larvae laid fewer eggs. A molecular docking was performed to examine the interactions between extract’s molecules and a crucial protein in M. domestica, Ls-AChBP (PDB ID: 2zju). Five compounds were identified as particularly effective: Tetratetracontane, Octacosyl acetate, Hexatriacontane, Eicosyl heptafluorobutyrate, and Bis (2-ethylhexyl) phthalate. The results indicate that these pear leaf extracts hold promise as alternative agents for managing M. domestica populations.
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黄柏提取物对病媒家蝇(双翅目:蝇科)的分子对接和杀虫活性
摘要 普通家蝇(家蝇)被公认为一种重要害虫,可传播多种病原体。习惯性使用化学杀虫剂防治家蝇已对人类、非目标物种和环境造成了有害影响。因此,人们迫切需要新的、可持续的家蝇控制替代品。本研究调查了普通梨(Pyrus communis)叶片的不同提取物对家蝇幼虫和生命周期进展的影响。通过 DNA 条形码鉴定了家蝇,并向 NCBI 基因库提交了 COX1 基因序列,序列号为 OQ363313。结果表明,P.communis 叶提取物对幼虫的致死浓度分别为 650 ppm 和 150 ppm,其中正己烷提取物的效果更好。此外,测试的提取物还能延长幼虫和蛹的发育阶段。经处理的幼虫中的雌虫产卵量减少。为了研究萃取物分子与 M. domestica 的一种重要蛋白质 Ls-AChBP (PDB ID:2zju)之间的相互作用,进行了分子对接。结果发现有五种化合物特别有效:四四碳烷、二十八烷基乙酸酯、六三碳烷、二十烷基七氟丁酸酯和邻苯二甲酸二(2-乙基己基)酯。研究结果表明,这些梨叶萃取物有望成为管理家蝇种群的替代药剂。
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