Efficient Synthesis, Characterization, and Molecular Docking Studies of Some Novel Benzothiazolamine-based Terephthaloyl Bisthioureas and Investigation of their Potent Antioxidant Activities

Variously substituted benzothiazolamines were prepared and employed as starting material to synthesize some new benzothiazolamine-based bis-thiourea derivatives, such as N3, N3’-bis(6-substituted benzothiazolyl)terephthaloyl-bis(thioureas). Molecular modeling of all the synthesized compounds was carried out to check the interactions of all the bis-thiourea ligands inside the active pocket of enzyme 3MNG in comparison to competitive antioxidant inhibitor DTT (1,2-dithiane-4,5-diol). The antioxidant activities of all the synthesized compounds were determined using a DPPH radical assay performed by standard methods. Benzothiazole-based bis-thiourea derivatives exhibited significant potent antioxidant properties.