Rajak Bikash Kumar, Rani Priyanka, Singh Nitesh, Singh Durg Vijay
Molecular Modelling and Computer Aided Drug Discovery Laboratory, Department of Bioinformatics, School of Earth, Biological and Environmental Sciences, Central University of South Bihar Gaya, Gaya, Bihar, India.
Department of Biosciences, University institute of Biotechnology, Chandigarh University, Mohali, Punjab, India.
Front Plant Sci. 2023 Jan 4;13:1056474. doi: 10.3389/fpls.2022.1056474. eCollection 2022.
Uncontrolled growth of in the wheat () crop has remained a problem, leading to a massive reduction in wheat grain production. Herbicides have been used to control the weed, which leads to the development of frequent resistance in and mutant biotypes were also reported (Trp2027Cys and Ile2041Asn). Development of resistance enforced agro researchers to analyses the action of herbicide on . In this study, the sequence and structure of and Acetyl CoA Carboxylase (ACCase) have been analysed to locate the differences in their sequence and structure and to formulate a plausible explanation of the selectivity of herbicides which may help in the rationale discovery of noble herbicides. The sequence and 3D structure analysis of weed and wheat ACCase indicate minute differences in the distantly located amino acid residues. However, proteins are conserved at the binding site of herbicides with no mutation at the catalytic site. Analysis indicates that herbicides selectively target ACCase might be due to unknown other reasons, but not due to differences in their protein sequence and structure.
小麦（）作物中杂草的肆意生长一直是个问题，导致小麦籽粒产量大幅下降。除草剂已被用于控制杂草，但这导致杂草频繁产生抗性，并且还报道了突变生物型（Trp2027Cys和Ile2041Asn）。抗性的产生促使农业研究人员分析除草剂对杂草的作用。在本研究中，对杂草和小麦乙酰辅酶A羧化酶（ACCase）的序列和结构进行了分析，以找出它们在序列和结构上的差异，并对除草剂的选择性作出合理的解释，这可能有助于合理发现新型除草剂。杂草和小麦ACCase的序列及三维结构分析表明，在位置较远的氨基酸残基上存在微小差异。然而，蛋白质在除草剂结合位点是保守的，催化位点没有突变。分析表明，除草剂选择性靶向杂草ACCase可能是由于其他未知原因，而非其蛋白质序列和结构的差异。
