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 <i>N3, N3’</i>-bis(6-substituted benzothiazolyl)terephthaloyl-bis(thioureas). Molecular modeling of all the synthesized compounds was carried out to check the interactions of all the bisthiourea 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.