2D QSAR Studies of some novel quinazolinone derivatives as selective phosphodiesterase i inhibitors

In the present study, quantitative structure activity relationship study was performed on a series of novel quinazolinone derivatives as inhibitors of phosphodiesterase using chem. office ultra 7.0. 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 quantitative structure activity relationship evaluation involved a study on ten different models, most of them have shown F value above 50. This study indicates that steric descriptors (logP, bend energy, molar refractivity, heat of formation and Henry’s law) 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 quinazolinone derivatives.

Author(s): Rajasekaran Subramaniam, Gopalkrishna Rao and Sanjay Pai.P.Nagesh

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