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Quantitative structure-activity relationships among steroids. Investigations of the use of steric parameters.

Abstract：

:The importance of steric factors in quantitative structure-activity relationships involving steroid hormones is discussed. a variety of steric parameters, such as parachlor, molecular volume, van der Waals volume, and including difference and squared steric terms, is explored in an attempt to find preferred forms for such expressions. Improved correlations for 6-substituted 16-methylene-17alpha-acetoxy-4,6-pregnadiene-3,20-dione derivatives were found in which activity is related to pi and a squared or difference steric factor. The activity of 9alpha-substituted cortisols correlates well with sigma I and a simple steric factor, provided that the 9alpha-hydroxylated compound is excluded from the series.

journal_name

J Med Chem

journal_title

Journal of medicinal chemistry

authors

Coburn RA,Solo AJ

doi

10.1021/jm00228a002

subject

Has Abstract

pub_date

1976-06-01 00:00:00

pages

748-54

issue

6

eissn

0022-2623

issn

1520-4804

journal_volume

19

pub_type

杂志文章

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