QSAR studies on structurally similar 2-arylidene-4-(4-phenoxy - phenyl) but-3-en-4-olides as anti-inflammatory agents

Abstract

QSAR analysis based on classical Hansch approach was adopted on recently reported novel series of 2-arylidene-4-(4-phenoxy phenyl) but-3-en-4-olides as anti-inflammatory agents. The compounds were divided into training and test sets. The regression analysis demonstrated that the topological parameters kier shape order index (κ3) and kiers modified-alpha shape order index (κα3) are important in describing anti-inflammatory activity of butenolides. The developed QSAR model were cross validated by high q2 values obtained by "leave one out" (LOO) method. ©ARKAT.