Synthesis and molecular modelling studies of some 2-pyrazolyl benzofuran derivatives as anti-tumor agents

Abstract

Drugs containing benzofuran pyrazole nucleus have been reported to possess antioxidant, antibiofilm, antidiabetic and anti-inflammatory properties. However, there are few debatable studies on the role that this pharmacophoric nucleus can play to elicit antitumor properties. Hence, this study was designed to examine its potential application of benzofuran pyrazole as anticancer drug. For this purpose, a new series of benzofuran pyrazole containing compounds was designed and their antitumor biological activity was assessed using HePG-2, HCT-116, MCF-7 and PC3, respectively. Furthermore, molecular modelling was performed for the investigated compounds to evaluate their recognition profiles at the VEGFR active binding-pocket. Out of this synthesized series, compounds 13 and 18 exhibited the strongest cytotoxic activity against all tumor cell lines with IC50 range between 3.96-5.49 µg/ml.