一些[[1-芳基(或苄基)-1-(苯磺酸胺)甲基]苯基]烷酸衍生物作为血栓素A2受体拮抗剂的3D-QSAR研究。

K. V. Sairam, J. Sarma, G. Desiraju
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引用次数: 1

摘要

近年来,血栓素A(2)受体拮抗剂在设计抗血栓、哮喘和心肌缺血等疾病的新药方面受到了广泛关注。采用受体表面分析(RSA)方法对一系列[[1-芳基(或苄基)-1-(苯磺酸胺)甲基]苯基]烷酸衍生物进行了3D-QSAR研究。对31个类似物进行RSA分析,其中25个用于训练集,其余的用于测试集。本研究产生了相当好的预测模型,在两个模型中都具有良好的交叉验证和常规r(2)值。
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3D-QSAR studies of some [[1-aryl(or benzyl)-1-(benzenesulphonamido)methyl] phenyl] alkanoic acid derivatives as thromboxane A2 receptor antagonists.
Thromboxane A(2) receptor antagonists have attracted much attention in recent times in the design of new agents that could be active against diseases such as thrombosis, asthma and myocardial ischemia. 3D-QSAR studies have been performed on a series of [[1-aryl(or benzyl)-1-(benzenesulphonamido)methyl] phenyl] alkanoic acid derivatives by using the receptor surface analysis (RSA) method. The RSA analysis was carried out on 31 analogues of which 25 were used in the training set and the rest considered for the test set. This study produced reasonably good predictive models with good cross-validated and conventional r(2) values in both the models.
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