Half a Century of Agrochemical QSAR
As a general approach to examining relationships between structure and biological activity, the classical QSAR (quantitative structure-activity relationship) procedure was published just half a century ago by Corwin Hansch and his coworkers including the present author1a,1b,2. The original project at that time was to obtain an insight into (sub)molecular mechanism of action of the plant growth regulators/ herbicides of substituted phenoxyacetic acid series through analyzing substituent effects on their structure-activity relationship1. Thus, the classical QSAR of the Hansch-type stems from agrochemistry. Since then, a number of the classical QSAR studies have been published not only in agrochemical3,4 but also more in medicinal/pharmaceutical chemistry area5,6. From QSAR analyses for series of bioactive compounds, we could extract guiding principles and construct models to design and synthesize new compounds the activity profiles of which are improved over those of existing series members. We could also obtain an insight into the (sub)molecular mechanism of the biological action. Here, a couple of examples of agrochemical QSAR studies accumulated in the 50 years are presented.
agrochemical QSAR azole-type fungicides ALS inhibiting herbicides
Toshio Fujita
Professor Emeritus of Pesticide and Bioregulation Chemistry at Kyoto University, Kyoto, Japan
国际会议
北京
英文
13-24
2012-09-15（万方平台首次上网日期，不代表论文的发表时间）