Comprehensive investigation of two substituted benzimidazoles: Design, synthesis, biological assessment, and characterization

Abstract

Benzimidazole is a bicyclic molecule that is mostly used in medicinal chemistry. The 2-substituted benzimidazoles that are now on the market include omeprazole, flubendazole, mebendazole, and albendazole. Antioxidants are compounds that impede the oxidation process, which is the chemical process that produces free radicals. A computational technique called "in-silico screening" is used in drug discovery to effectively estimate a molecule's likelihood of interacting with a target of interest. Antihelminthics are a class of antiparasitic drugs that either kill or paralyze internal parasites like parasitic worms, all without endangering the host. A standard procedure was used to create the 2-substituted benzimidazole. PyRx software was used to do the in-silico screening for anthelmintic drugs. The DPPH and ABTS methods were used to measure the antioxidant activity. Melting point, TLC, and IR spectra were used to confirm the structures of the produced compounds. The binding affinity for sulphosalicylic acid in the anthelmentic in silico screening was -7.7. Salicylic acid demonstrated excellent antioxidant activity, as seen by its IC50 values of less than 5 mg/ml for the ABTS method and 37 mg/ml for the DPPH method. Overall, the combination of theoretical and practical yield data, along with melting points, ATR Spectra and Rf values, offers valuable insights into the synthesis and characterization of chemical compounds. The salicylic acid derivative exhibits good antioxidant activity by both the methods. The Sulphosalicylic acid derivative shows prominent In-silico anthelmintic activity result hence the synthesized compounds can be tested for anthelmintic activity in future.