SAR studies on β-cell K(ATP) channel openers

Interdiscip Sci. 2012 Sep;4(3):215-22. doi: 10.1007/s12539-012-0135-8. Epub 2013 Jan 8.

Abstract

Recently Balaban has introduced a J-type G index for modeling those properties/activities where not only the "shape" but also size of the graph influences the property/activity of organic compounds acting as drugs. Here, for the first time G index has been used for modeling the pancreatic β-cell K(ATP) channel openers viz R/S-3,4-dihydro-2,2-dimethyl-6-halo-4-(substituted phenylaminocarbonylamino)-2H-1-benzopyrans. Modeling technology used in this paper has established that the referred activity is excellently modeled by using G as one of the correlating descriptors. The results are critically discussed using Ridge statistics.

MeSH terms

  • Benzopyrans / chemistry
  • Insulin-Secreting Cells / metabolism*
  • Models, Theoretical
  • Potassium Channels / chemistry*
  • Potassium Channels / metabolism*
  • Structure-Activity Relationship*

Substances

  • Benzopyrans
  • Potassium Channels