ALS抑制剂合理分子设计的研究进展

Research Development of Rational Molecular Design of ALS Inhibitors

以乙酰乳酸合成酶为靶标合理设计开发新型超高效除草剂是当前除草剂化学研究中的重要领域.结合本课题组的研究工作,从ALS抑制剂的结构特征、分子力学与量子化学研究、定量构效关系(QSAR)与三维定量构效关系(3D-QSAR)研究、非线性QSAR研究以及新型除草剂的分子设计等几个方面对该领域的研究现状进行了总结报道,并对该领域的发展前景及存在的问题进行了展望.

Acetolactate synthase (ALS) has been a very attractive target for herbicides for the last decade. There are several AIS inhibitors in commercial use spanning the world - wide market. In this paper, the research development of rational molecular design of ALS inhibitors is reviewed from five aspects: (1) structure characterization of ALS inhibitors, (2)QSAR and 3D - QSAR analyses, (3) nonlinear QSAR analysis, (4) action model of ALS inhibitors, (5) molecular design of novel ALS inhibitors.