吸引力
化学
蛋白质-蛋白质相互作用
生物测定
离解(化学)
离解常数
生物
对接(动物)
分子动力学
配体(生物化学)
生物系统
竞争性约束
植物
植物蛋白
模型系统
分子模型
配体结合分析
作者
Tijjani Mustapha,Y. e Liang Zhang,Jianquan Yan,Huatao Tang,Zhujun Wang,Sheng-Yen Wu Yen Wu,Abdul Basit,Yassir Boulaamane,Anshuman Chandra,Mai-Abba Ishiyaku Abdullahi,Moazam Hyder,Youming Hou
标识
DOI:10.1021/acs.jafc.6c01340
摘要
Tuta absoluta severely constrains global tomato production. We investigated the behavioral attraction of Harmonia axyridis to infested plants and the molecular basis of herbivore-induced plant volatile (HIPV) recognition. Y-tube bioassays showed statistically significant attraction of H. axyridis to the infested plant (χ2 = 13.72, P < 0.05). Molecular docking showed strong HaxyOBP-HIPV interactions, with predicted binding energies reaching −7.6 kl mol–1 and ligand efficiencies of more than 0.30 kl mol–1 per heavy atom. HaxyOBP13, HaxyOBP19, and HaxyOBP23 were found to have the most stable complexes with 1,3-cyclohexadiene-1-carboxaldehyde, 2,6,6-trimethyl, 1-methyl-3-(1-methylethyl), and beta-phellandrene during 100 ns molecular dynamics simulations, maintaining RMSD values within 0.15–0.30 nm. The competitive binding assays confirmed micromolar affinities, with dissociation constants (Kd) ranging between 6.45 and 14.58 μM. These behavioral, computational, and biochemical findings define important OBPs that mediate the perception of HIPV in H. axyridis, which forms the basis of volatile-mediated improvement of biological control measures against T. absoluta.
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