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

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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.