COMPARATIVE MOLECULAR-FIELD ANALYSIS OF SOME CLODRONIC ACID-ESTERS

被引：33

作者：

BJORKROTH, JP

PAKKANEN, TA

LINDROOS, J

POHJALA, E

HANHIJARVI, H

LAUREN, L

HANNUNIEMI, R

JUHAKOSKI, A

KIPPO, K

KLEIMOLA, T

机构：

[1] UNIV JOENSUU,DEPT CHEM,SF-80101 JOENSUU,FINLAND

[2] HUHTAMAKI OY LEIRAS,SF-20107 TURKU,FINLAND

来源：

JOURNAL OF MEDICINAL CHEMISTRY | 1991年 / 34卷 / 08期

关键词：

D O I：

10.1021/jm00112a004

中图分类号：

R914 [药物化学];

学科分类号：

100701 [药物化学];

摘要：

Comparative molecular field analysis (CoMFA) has been used as a three-dimensional quantitative structure-activity relationship (QSAR) method to correlate three different types of biological activity data with physicochemical properties of some clodronate ester analogues, which act as bone-resorption regulators in cell cultures and rats. The QSAR studies show the importance of the steric properties of these new bisphosphonate derivatives for the inhibition of bone resorption in bone cell cultures and for their bioavailability in rats. This information will be used in predicting the structure of new more potent bisphosphonic compounds.

引用

页码：2338 / 2343

页数：6

共 20 条

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[2]

CROSS-VALIDATION, BOOTSTRAPPING, AND PARTIAL LEAST-SQUARES COMPARED WITH MULTIPLE-REGRESSION IN CONVENTIONAL QSAR STUDIES [J].