2D QSAR studies of some novel Sulfonamide derivatives as Inhibitors of Histone Deacetylase

[摘要] In the present study, quantitative structure activity relationship study was performed on a series of novel sulfonamide derivatives as inhibitors of Histone deacetylase using chem. office ultra 7.01. Multiple linear regression analysis was performed to derive quantitative structure activity relationship models which were further evaluated internally as well as externally for the production of activity. The best quantitative structure activity relationship model was selected with a correlation coefficient (r2) of 0.2782. This study indicates that steric descriptors (conolly solvent excluded volume, exact mass, total connectivity) play important role for the activity. The data obtained from this present quantitative structure activity relationship study may be useful in the design of more potent substituted sulfonamide derivatives.

[学科分类] 药理学