Using Molecular Dynamics Simulations to Explore Mechanisms of Conveying Resistance to Cellulose Biosynthesis Inhibitors by Selective Mutatations

利用分子动力学模拟探索通过选择性突变传递纤维素生物合成抑制剂抗性的机制

• 批准号: 530039-2018
• 负责人: DeHaan, Hendrick
• 金额: $ 1.82万
• 依托单位: University of Ontario Institute of Technology
• 依托单位国家: 加拿大
• 项目类别: Engage Grants Program
• 财政年份: 2018
• 资助国家: 加拿大
• 起止时间: 2018-01-01 至 2019-12-31
• 项目状态: 已结题
• 来源: https://www.nserc-crsng.gc.ca/ase-oro/Details-Detailles_eng.asp?id=648813
• 关键词: Using; Molecular; Dynamics; Simulations; Explore

Crop protection chemicals are essential in agriculture to enhance the production and quality of crops and there is a continuous**need for new active chemicals that are more effective, selective, and environmentally benign such that they do not possess**negative off-target effects on the environment or human health. Cellulose Biosynthesis Inhibitors (CBIs) are of significant interest**as herbicides since they disrupt cellulose production, thus inhibiting growth since cellulose is the major component of plant cell**walls. In this collaborative project, Frontier Agri-Science Inc., an Ontario agri-tech company and Prof. Hendrick de Haan (UOIT)**are proposing to further develop and refine a 3D structure for a cellulose synthase protein and to perform simulations of known**CBIs interacting with the protein. Point mutations that have developed by Frontier Agri-Science will then be implemented such that**comparison between the wild-type and mutated proteins can give insight into the mechanisms of conveying resistance to CBIs.**Selective resistance via these mutations will allow for selective resistance such that CBIs can be used to control the growth of all**plants except the desired crop. This research could significantly advance the production of target crops for increased yield and**thus convey significant economic benefit in not only expanding Frontier Agri-Science but to the agricultural sector of Ontario.

作物保护化学品在农业中对于提高作物产量和质量至关重要，并且持续需要新的活性化学品，这些化学品更有效，更有选择性，并且对环境无害，因此它们不会对环境或人类健康产生负面脱靶效应。纤维素生物合成抑制剂（CBIs）作为除草剂具有重要意义，因为它们破坏纤维素的产生，从而抑制生长，因为纤维素是植物细胞壁的主要成分。在这个合作项目中，前沿农业科学公司，一家安大略农业技术公司和Hendrickde哈安教授（UOIT）** 正在提议进一步开发和改进纤维素合酶蛋白的3D结构，并进行已知 ** CBI与蛋白相互作用的模拟。然后将实施Frontier Agri-Science开发的点突变，以便 ** 野生型和突变蛋白质之间的比较可以深入了解传递对CBIs的抗性的机制。通过这些突变的选择性抗性将允许选择性抗性，使得CBI可用于控制除所需作物之外的所有 ** 植物的生长。这项研究可以显着推进目标作物的生产，提高产量，** 从而传达了显着的经济效益，不仅扩大前沿农业科学，但安大略的农业部门。