3D QSAR, pharmacophore indentification studies on series of 1-(2-ethoxyethyl)-1H-pyrazolo [4,3-d]pyrimidines as phosphodiesterase V inhibitors

ContextIn recent years phosphodiesterase V acts as an attractive target for cardiovascular drug design and QSAR techniques are helpful for the optimization of structural requirements for designing novel compounds.ObjectiveThe present communication deals with 3D-QSAR analysis of 1-(2-ethoxyethyl)-1H-pyrazolo[4,3-d]pyrimidines as phosphodiesterase V inhibitors.Materials and methodsThe multiple linear regression analysis and kNN-MFA analysis were carried out on 33 reported 1-(2-ethoxyethyl)-1H-pyrazolo[4,3-d]pyrimidines in Vlife MDS 3.5.ResultsThe substitution of electron withdrawing groups in pyrazole ring and sterically less bulkier groups is important for the phosphodiesterase V inhibition indicated by both QSAR analyses.ConclusionThe two different QSAR models are generated by using two different principles, both the models are showing similar results which indicate that this kNN-MFA technique can be utilized for cross validation of the results of multiple linear regression studies.