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

Context In 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. Objective The present communication deals with 3D-QSAR analysis of 1-(2-ethoxyethyl)-1H-pyrazolo[4,3-d]pyrimidines as phosphodiesterase V inhibitors. Materials and methods The 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. Results The 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. Conclusion The 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.