Design, syntheses and biological activity of novel ALS inhibitors (Ⅸ)——CoMFA of sulfonylureas and triazolopyrimidine-2-sulfonamides ALS inhibitors  

作　　者：杨光富 刘华银 杨秀风 杨华铮 

出　　处：《Science China Chemistry》1999年第6期656-662,共7页中国科学（化学英文版）

基　　金：Project supported by the National Natural Science Foundation of China (Grant No. 29832050);the Special Key Fund of Natural Science of Tianjin (Grant No. 983801011);the Doctoral Fund of the Education Ministry of China.

摘　　要：Quantitative structure-activity relationships for herbicidal activity against rape of sulfonylurea and tria-zolopyrimidine-2-sulfonamide derivatives were examined three-dimensionally using comparative molecular field analysis (CoMFA) . The CoMFA results show that the slopes in steric and electrostatic fields around the molecule were significant for both series in governing the potency variations in herbicidal activity. Based upon the successful superposition between the two series, the herbicidal activity was analyzable with a single equation for the combined set of compounds, which suggested that the two different series of compounds have a common region of the receptor site.Quantitative structure-activity relationships for herbicidal activity against rape of sulfonylurea and triazolopyrimidin-2-sulfonamide derivatives were examined three-dimensionally using comparative molecular field analysis (CoMFA). The CoMFA results show that the slopes in steric and electrostatic fields around the molecule were significant for both series in governing the potency variations in herbicidal activity. Based upon the successful superposition between the two series, the herbicidal activity was analyzable with a single equation for the combined set of compounds, which suggested that the two different series of compounds have a common region of the receptor site.

关 键 词：acteolactate synthase inhibitors comparative molecular field analysis COMFA structure-activity relationships pharmacophore SULFONYLUREA triazolopyrimidine-2-sulfonamide. 

分 类 号：Q7[生物学—分子生物学]