Zafar Zeeshan, Wood Martyn J, Fatima Sidra, Bhatti Muhammad Faraz, Shah Farooq A, Saud Zack, Loveridge E Joel, Karaca Ismail, Butt Tariq M
Research and Development, Razbio Limited, Bridgend, UK.
Atta-ur-Rahman School of Applied Biosciences, National University of Sciences and Technology, Islamabad, Pakistan.
J Biomol Struct Dyn. 2024 Feb 28:1-16. doi: 10.1080/07391102.2024.2317990.
Olfactory systems are indispensable for insects as they, including Western Flower Thrips (), use olfactory cues for ovipositing and feeding. use odorant binding proteins (OBPs) to transport semiochemicals to odorant receptors to induce a behavioural response from the sensillum lymph of the insect's antennae. This study identifies four OBPs of and analyses their expression at three stages of growth: larvae, adult males and adult females. Further, it investigates the presence of conserved motifs and their phylogenetic relationship to other insect species. Moreover, was characterized to analyse its structure along with molecular docking and molecular dynamics simulations to understand its binding with semiochemicals of . Molecular docking revealed the interactions of methyl isonicotinate, p-anisaldehyde and (S)-(-)-verbenone with . Moreover, molecular dynamics simulations showed bonding stability of these ligands with and field trials validated that Lurem TR (commercial product) and p-anisaldehyde had greater attraction as compared to (S)-(-)-verbenone, given the compound's binding with . The current study helps in understanding the tertiary structure and interaction of with lures using computational and field data and will help in the identification of novel lures of insects in the future, given the importance of binding with OBPs.
嗅觉系统对昆虫来说是不可或缺的,因为它们(包括西花蓟马)利用嗅觉线索进行产卵和觅食。利用气味结合蛋白(OBPs)将信息化学物质运输到气味受体,以诱导昆虫触角感器淋巴产生行为反应。本研究鉴定了西花蓟马的四种OBPs,并分析了它们在幼虫、成年雄性和成年雌性三个生长阶段的表达情况。此外,还研究了保守基序的存在及其与其他昆虫物种的系统发育关系。此外,对西花蓟马的一种OBP进行了表征,分析了其结构,并结合分子对接和分子动力学模拟,以了解其与西花蓟马信息化学物质的结合情况。分子对接揭示了异烟酸甲酯、对茴香醛和(S)-(-)-马鞭草烯酮与西花蓟马的一种OBP的相互作用。此外,分子动力学模拟表明这些配体与西花蓟马的一种OBP具有结合稳定性,田间试验验证了Lurem TR(商业产品)和对茴香醛比(S)-(-)-马鞭草烯酮具有更大的吸引力,因为该化合物与西花蓟马的一种OBP有结合。目前这项研究有助于利用计算和田间数据了解西花蓟马的一种OBP的三级结构及其与诱捕剂的相互作用,鉴于与OBPs结合的重要性,这将有助于未来识别新型昆虫诱捕剂。