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了解ALS突变的结构基础,与小麦中对硫氨酸尿素的耐药性相关

Pawan Kumar^1,2, Ritika Bishnoi¹, Pragya Priyadarshini¹

¹Bioinformatics Centre, School of Agricultural Biotechnology, Punjab Agricultural University, Ludhiana, Punjab, India.

Scientific reports

|April 14, 2025

概括

开发抗除草剂耐药小麦需要了解乙酸盐合成酶 (ALS) 的突变. 一种三重突变 (TaALS-G631D/G632S/P174S) 显示最有效地与尼科硫结合,表明强大的除草剂耐药性潜力.

科学领域:

农业科学农业科学
生物化学生物化学
计算生物学计算生物学

背景情况:

开发耐除草剂的小麦对于有效的杂草管理和提高作物产量至关重要.
乙酸盐合成酶 (ALS) 是硫氨基酸除草剂的目标酶.
了解Triticum aestivum ALS (TaALS) 中的突变是产生抗除草药耐药性的关键.

研究的目的:

提供对可变残留物的结构洞察力,从而使硫氨酸尿素除草剂对TaALS.具有抗性.
通过计算分析TaALS突变体与除草剂尼可硫的结合亲和力.

主要方法:

使用in-silico分子对接来评估各种TaALS突变形状与尼科苏尔的结合亲缘关系.
进行了分子动力学模拟,以确认结合相互作用的稳定性和强度.

主要成果:

分子对接确定了单,双和三重TaALS突变 (例如TaALS-P174S,TaALS-G632S/P174S,TaALS-G631D/G632S),与野生类型TaALS相比,与尼科苏尔的结合亲和力较低.
分子动力学模拟证实,三重突变构造 (TaALS-G631D/G632S/P174S) 与尼科硫结合最弱,最稳定.

结论:

三重突变构造 (TaALS-G631D/G632S/P174S) 在计算上被确定为开发抗除草剂硫氨酸素耐药小麦最有效的.
这项研究提供了有价值的结构性见解,用于通过针对性ALS的突变性来设计小麦的除草剂耐受性.

关键词:

乙酸乳酸合成酶 (ALS) 的使用抗除草剂耐药性的原因分子对接分子对接分子动态模拟分子动态模拟尼科硫子 (Nicosulfuron) 是一种变异点的变异点是指变异点的变化点.硫烯氨酸氨基酸是什么?小麦小麦小麦小麦的小麦.

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