QSAR study using topological indices for inhibition of carbonic anhydrase II by sulfanilamides and Schiff bases

Alexandru T. Balaban, Subhash C. Basak, Adrian Beteringhe, Denise Mills, Claudiu T. Supuran

Research output: Contribution to journalArticle

41 Scopus citations

Abstract

A QSAR study of two sets of carbonic anhydrase inhibitors is presented using a variety of molecular descriptors including topological indices. The first set consists of 29 benzenesulphonamides, and the second set includes 35 sulphanilamide Schiff bases. Two regression methodologies have been used involving ridge regression and the CODESSA program, and their results are compared with those of previous QSAR studies. Good correlations were found for the former set, and less satisfactory results for the latter set when the number of molecular descriptors is kept below five.

Original languageEnglish (US)
Pages (from-to)401-412
Number of pages12
JournalMolecular Diversity
Volume8
Issue number4
DOIs
StatePublished - Nov 24 2004

Keywords

  • Molecular descriptors
  • QSAR
  • Schiff bases
  • Sulphonamides
  • carbonic anhydrase inhibitors

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