Biological Evaluation and Molecular Docking Studies of Benzalkonium Ibuprofenate

Abstract

The third-generation ionic liquids (ILs), which are being used to produce double active pharmaceutical ingredients (d-APIs) with tunable biol. activity along with novel performance, enhancement, and delivery options, have been revolutionizing the area of drug discovery since the past few decades. Herein we report the in vitro antibacterial and anti-inflammatory activity of benzalkonium ibuprofenate (BaIb) that are being used as inhouse d-API, with a particular focus on its interaction with resp. protein target through mol. docking study. The evaluation of the biol. activity of BaIb with the antibacterial and anti-inflammatory target at the mol. level revealed that the synthesized BaIb could be designed as a potential double active drug since it retains the antibacterial and anti-inflammatory activity of its parent drugs, benzalkonium chloride (BaCl) and sodium ibuprofenate (NaIb), resp.