Modelling of carbonic anhydrase inhibitory activity of sulfonamides using molecular negentropy

Bioorg Med Chem Lett. 2003 Feb 10;13(3):447-53. doi: 10.1016/s0960-894x(02)00954-x.

Abstract

The present paper deals with the modelling of carbonic anhydrase inhibitory activity of sulfonamides using molecular negentropy (N). Excellent results are obtained in multiple regression analysis upon introduction of indicator parameters. The results are critically discussed on the basis of statistical data obtained from regression analysis.

MeSH terms

  • Algorithms
  • Carbonic Anhydrase Inhibitors / chemical synthesis*
  • Carbonic Anhydrase Inhibitors / pharmacology*
  • Chemical Phenomena
  • Chemistry, Physical
  • Crystallography, X-Ray
  • Kinetics
  • Models, Molecular
  • Quantitative Structure-Activity Relationship
  • Regression Analysis
  • Sulfonamides / chemical synthesis*
  • Sulfonamides / pharmacology*
  • Thermodynamics

Substances

  • Carbonic Anhydrase Inhibitors
  • Sulfonamides