CoMFA方法用于α-氧代环十二烷基磺酰胺的QSAR研究

QSAR STUDY OF -α--OXOCYCLODODECYL- SULPHONAMIDES BY CoMFA

本文将比较分子场分析 (Comparative Molecular Field Analysis)方法 ,即 Co MFA方法用于 α-氧代环十二烷基磺酰胺 QSAR研究 ,建立了较好的模型。根据模型的立体场和静电场要求设计了一批化合物 ,其中多数化合物预报的杀菌活性较高 ,为进一步合成和筛选该类化合物提供了依据。

CoMFA (Comparative Molecular Field Analysis) was used to study the QSAR of -α--oxocyclododecylsulphonamides and a good model established. According to the steric field and electrostatic field of the model, some compounds which have high predicted activity were forecast, and they may be employed as reference for further study.