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QSAR study on pK(a) vis-à-vis physiological activity of sulfonamides: a dominating role of surface tension (inverse steric parameter).

Abstract：

:The paper describes the dominating role of surface tension (ST) on the modeling, monitoring, and estimating pK(a) for a large series of 43 substituted sulfonamides. Because of the direct correlation of ST with parachor (Pc) vis-a-vis molecular volume (MV), ST is considered as a steric parameter. Single as well as multi-parametric regressions have indicated that ST has a dominating role in QSAR of the set of sulfonamides used and that excellent results are obtained in multi-parametric regression analysis. The results are discussed critically on the basis of statistical parameters.

journal_name

Bioorg Med Chem Lett

journal_title

Bioorganic & medicinal chemistry letters

authors

Thakur M,Thakur A,Khadikar PV,Supuran CT

doi

10.1016/j.bmcl.2004.10.032

subject

Has Abstract

pub_date

2005-01-03 00:00:00

pages

203-9

issue

1

eissn

0960-894X

issn

1464-3405

pii

S0960-894X(04)01260-0

journal_volume

15

pub_type

杂志文章

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