Gombar V, Kapoor V K, Singh H
Arzneimittelforschung. 1983;33(9):1226-30.
A series of 28 substituted salicylic acids possessing antiinflammatory property is investigated for structure-activity relationships in light of the linear free energy related (LFER) and Fujita-Ban models. The Fujita-Ban group contributions have been calculated for 11 different substituents on the parent ring. It is observed that among these only phenyl group at position 5 increases the activity. The activity is found to increase further if electron withdrawing groups are attached to this phenyl substituent. The LFER analysis indicates that the electronic and partitioning effects of the substituents are important factors influencing the antiinflammatory activity. A statistically significant relationship with a correlation coefficient of the order of 0.9 explaining 71% of the variance is obtained using these substituent constants.
根据线性自由能相关（LFER）和藤田-班模型，对一系列具有抗炎特性的28种取代水杨酸进行了构效关系研究。已计算出母环上11种不同取代基的藤田-班基团贡献。观察到在这些取代基中，只有5位的苯基会增加活性。如果吸电子基团连接到该苯基取代基上，活性会进一步增加。LFER分析表明，取代基的电子效应和分配效应是影响抗炎活性的重要因素。使用这些取代基常数获得了具有统计学意义的关系，相关系数约为0.9，解释了71%的方差。
