چكيده فارسي :
In view of obtaining the potential inhibitory compounds quantitative structure–activity
relationship (QSAR) analysis was conducted to investigate the quantitative effect of structural
properties of 36 analogs of sildenafil on their PDE5 inhibitory activity. Molecular modeling and
QSAR analysis were performed to find the quantitative effects of the molecular structure of the
molecules on their inhibitory activity. QSAR as one of the most important areas in computational
chemistry gives information that is useful for drug design and medicinal chemistry. In QSAR
analysis, different electronic, topologic, functional groups and physicochemical descriptors were
calculated for each molecule and an eight parametric equation was found between the pIC50 and
Rww, X4A, Heat of Formation, PW2, piID, X3A, logP and nCq of the molecules.
