Synthesis of 1, 2-Disubstituted Benzimidazoles at Ambient Temperature Catalyzed by 1-Methylimidazolium Tetraflouroborate ([Hmim] BF_4) and Investigating Their Anti-ovarian Cancer Properties Through Molecular Docking Studies and Calculations

Abstract

An environmentally benign method for the synthesis of 1, 2-disubstituted benzimidazoles by the reaction of aromatic aldehydes and o-phenylenediamines (OPD) in the presence of 1-methylimidazolium tetraflouroborate ([Hmim] BF4) at ambient temperature under green conditions is described. A broad range of structurally diverse benzaldehydes were applied successfully, and corresponding products were obtained in good to excellent yields in very short times. All products were identified by the melting points, 1H and 13C NMR techniques. Furthermore, with the help of computational chemistry and drug design methods, the anti-ovarian cancer properties of these compounds were studied and investigated. All the synthesized compounds bind to an agonist at the active site of the 6LAD protein, which leads to the inactivation of this protein and produces beneficial effects during ovarian cancer treatment. In this study, it was found that these compounds have the potential to become an oral anti-cancer drug.