A simple model for the prediction of blood-brain partitioning

被引：101

作者：

Feher, M ^{[1
]}

Sourial, E ^{[1
]}

Schmidt, JM ^{[1
]}

机构：

[1] Nanodesign Inc, Guelph, ON N1G 4Y5, Canada

来源：

INTERNATIONAL JOURNAL OF PHARMACEUTICS | 2000年 / 201卷 / 02期

关键词：

blood-brain barrier; QSAR; drug transport; partition coefficients; polar surface area; hydrogen bonding;

D O I：

10.1016/S0378-5173(00)00422-1

中图分类号：

R9 [药学];

学科分类号：

1007 ;

摘要：

We derived a simple model for the prediction of blood-brain barrier penetration using three descriptors. The model contains the calculated octanol-water partition coefficient, the number of hydrogen-bond accepters in an aqueous medium and the polar surface area. It was validated using an extensive dataset, comprising 100 diverse drug molecules. The descriptors are easily calculated and the model is suitable for the rapid prediction of the blood-brain barrier partitioning of drugs. (C) 2000 Elsevier Science B.V. All rights reserved.

引用

页码：239 / 247

页数：9

共 21 条

[1] HYDROGEN-BONDING .33. FACTORS THAT INFLUENCE THE DISTRIBUTION OF SOLUTES BETWEEN BLOOD AND BRAIN [J].