Comparative molecular field analysis (CoMFA) of new herbicidal sulfonylurea compounds

A series of new herbicidal sulfonylurea compounds were investigated aiming at developing a three-dimensional quantitative structure-activity relationship (3D-QSAR) model using the CoMFA technique. On this base, some molecular structures were modified to improve their activities. A model of the target acetolactate syntheses (ALS) enzyme was established for the first time, which is useful to design and synthesis of new ALS enzyme inhibitor.