CNDO/2法研究胆固醇类肾上腺显像剂的构效关系

A STUDY ON THE STRUCTURE—ACTIVITY RELATIONSHIP OF CHOLESTEROL ANALOGUES AS ADRENAL IMAGING AGENT WITH CNDO/2 METHOD

采用量子化学CNDO/2方法计算处理了18种常见的放射性碘、溴、硒标记的胆固醇类肾上腺显像剂。提出了度量该类药物亲肾上腺能力大小的理论指标,较好地解释了实验事实。这种计算方法是研究该类药物构效关系的一种有益尝试。

Common cholesterol analogues labelled with radioiodine, radiobromine and radioselenium as adernal imaging agents were studied by means of quantum chemical CNDO/2 method for the first time. We put forward the concept of theoretical index of affinity for the adrenal gland, and obtained the corresponding regularity between the theoretical index and the affinity for the adrenal gland.