2D QSAR ANALYSIS OF BLOOD-BRAIN BARRIER PERMEABILITY FOR ORGANIC COMPOUNDS

A. Kosinskaya, L. N. Ognichenko, T. A. Sidelnikova, Ya. F. Burdina, A. A. Shyrykalova, G. F. Stepanov, A. Grekova, I. R. Gridina, E. P. Lebed, V. Kuz'min
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Abstract

The aim of this work is to analyze the influence of the structure of organic compounds on their ability to penetrate the blood-brain barrier (BBB) using the  values of LogPS (logarithm of the product of permeability and surface area of metabolism, which is a measure of the transfer of compounds from the blood to the brain and reflects the degree of  penetration of the substance into the brain without relative binding to proteins). The study of the  permeability of BBB is necessary both for the development of new drugs for which the CNS is a biointerference, and for the development of effective ways of treating diseases of the brain.
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有机化合物血脑屏障通透性的二维qsar分析
这项工作的目的是分析有机化合物的结构对其穿透血脑屏障(BBB)能力的影响,使用LogPS(渗透性和代谢表面积乘积的对数,这是化合物从血液转移到大脑的一种测量,反映了物质在不与蛋白质相对结合的情况下渗透到大脑的程度)。研究血脑屏障的通透性对于开发以中枢神经系统为生物干扰源的新药,以及开发治疗脑部疾病的有效方法都是必要的。
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