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QSAR study of pyrazolo[4,3-e][1,2,4]triazine sulfonamides against tumor-associated human carbonic anhydrase isoforms IX and XII.

Abstract：

:The QSAR models for a set of pyrazolo[4,3-e][1,2,4]triazines incorporating benzenesulfonamide moiety combined directly with the heterocyclic ring or by NH linkage were generated. The inhibitory potency of compounds against human carbonic anhydrase isoforms IX and XII and antiproliferative activity against human MCF-7 cells were used as the dependent variables. The Codessa pro software was used for the descriptors calculation and the Best Multi-Linear Regression (BMLR) algorithm was employed to build the QSAR models. It was found that quantum descriptors are critical of the compounds activities. The selected models have good predictive accuracy confirmed by a set of the statistical quantities recommended by OECD.

journal_name

Comput Biol Chem

journal_title

Computational biology and chemistry

authors

Matysiak J,Skrzypek A,Tarasiuk P,Mojzych M

doi

10.1016/j.compbiolchem.2017.09.006

subject

Has Abstract

pub_date

2017-12-01 00:00:00

pages

57-62

eissn

1476-9271

issn

1476-928X

pii

S1476-9271(17)30296-7

journal_volume

71

pub_type

杂志文章

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