Effects of temperature and microwave on the stability of the blast effector complex APikL2A/sHMA25 as determined by molecular dynamics analyses

文献类型： 外文期刊

第一作者： Zhao, Ling

作者： Zhao, Ling;Zhang, Ting;Luo, Yanjie;Li, Lin;Cheng, Ruhong;Shi, Zhigang;Wang, Genping;Ren, Tiancong

作者机构：

关键词： Blast effector; Molecular dynamic simulations; Temperature; Oscillating electric field

期刊名称：JOURNAL OF MOLECULAR MODELING （ 影响因子：2.2； 五年影响因子：1.8 ）

ISSN： 1610-2940

年卷期： 2023 年 29 卷 5 期

页码：

收录情况： SCI

摘要： Magnaporthe oryzae is the causal agent of rice blast, and understanding how abiotic stress affects the resistance of plants to this disease is useful for designing disease control strategies. In this paper, the effects of temperature and microwave irradiation on the effector complex comprising APikL2A from M. oryzae and sHMA25 from foxtail millet were investigated by molecular dynamics simulations using the GROMACS software package. While the structure of APikL2A/sHMA25 remained relatively stable in a temperature range of 290 K (16.85 degrees C) to 320 K (46.85 degrees C), the concave shape of the temperature-dependent binding free energy curve indicated that there was maximum binding affinity between APikL2A and sHMA25 at 300 K-310 K. This coincided with the optimum infectivity temperature, thus suggesting that coupling of the two polypeptides may play a role in the infection process. A strong oscillating electric field destroyed the structure of APikL2A/sHMA25, although it was stable and not susceptible to weak electric fields.

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