分子拓扑设计的新型降血药:2,6-二叔丁基-4-甲基吡啶和2,6-二叔丁基吡啶的药理学研究

R. A. Cercós-del-Pozo, F. Pérez-Giménez, Salabert-Salvador Mt, F. J. García-March, Miguel Murcia-Soler
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引用次数: 4

摘要

使用基于分子拓扑和QSAR分析的计算机辅助方法设计了具有降血脂活性的新化合物。采用线性判别分析和连通性函数设计了三种可能适合的药物,并通过Triton WR-1339试验对大鼠进行了降血脂性能测试。对新设计的化合物进行的药理学试验表明,其中两种化合物在I期具有显著的活性。即2,6-二叔丁基-4-甲基吡啶(C.A.S. 38222-83-2)和2,6-二叔丁基吡啶(C.A.S. 585-48-8)的总胆固醇水平。这两种物质将血脂降低到比用作对照药的氯贝特更低的水平。
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NEW HYPOLIPAEMIC AGENTS DESIGNED BY MOLECULAR TOPOLOGY : PHARMACOLOGICAL STUDIES OF 2,6-DI-TERT-BUTYL-4-METHYLPYRIDINE AND 2,6-DI-TERT-BUTYLPYRIDINE
New compounds showing hypolipaemic activity have been designed using a computer-aided method based on molecular topology and QSAR analysis. Linear discriminant analysis and connectivity functions were used to design three potentially suitable drugs which were tested for hypolipaemic properties by the Triton WR-1339 test in rats. The pharmacological tests carried out on the newly designed compounds demonstrated the existence of notable activity in phase I for two of them. namely 2,6-Di-tert-butyl-4-methylpyridine (C.A.S. 38222-83-2) and 2,6-Di-tert-butylpyridine (C.A.S. 585-48-8), with respect to the level of total cholesterol. Both substances decrease the lipaemia to lower levels than clofibrate, which was used as a reference drug.
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