Synthesis of 1,3-benzodioxole-based procaine-tagged ionic liquids and investigation of its physiochemical and anti-cancer properties against A549 cells

Abstract

There is significant interest in ionic liquids based on 1,3-benzodioxole as potential leads for novel anticancer agents. Herein, we report the design and development of a series of 1,3-benzodioxole-based procaine-tagged ionic liquids as anticancer drugs in which we investigated the molecular docking studies with tubulin protein followed by synthesis of desired ionic liquids [Pro-pipBF4], [Pro-pipOTF], and [Pro-pipDCN] with binding energy of −355.26 kcal/mol, −335.76 kcal/mol, and −335.39 kcal/mol respectively. Also, in-silico pharmacological and physicochemical properties were assessed for synthesized ionic liquids using admetSAR tool to find out the best candidature for anticancer properties. Further in-vitro studies were performed for their anticancer activity against lung cancer cell line A549 using MTT assay (3-[4,5-dimethylthiazol-2-yl]-2,5-diphenyl tetrazolium bromide) which revealed the potential effectiveness of [Pro-pipBF4] as an anticancer agent with IC50:19.85 value. As a result, this study evaluated that [Pro-pipBF4] could be a promising therapeutic candidate that may be further developed for cancer treatment.