Assessing the biological potential of new symmetrical ferrocene based bisthiourea analogues

In the present work synthesis and characterization of five new bisferrocenyl bisthiourea analogues (G_2M, S_2M, G_3F, G_4F and T_2M) is reported. UV-Visible and electrochemical studies were performed in order to have optical (absorption maximum, Molar absorption coefficient and optical band gap) and electrochemical parameters (Oxidation/reduction potentials and nature of the electrochemical process) of the compounds. In vitro various biological studies such as antibacterial, antifungal, anti-oxidant and antidiabetic activities were carried out to have comparative overview of the phermacochemical strength of the newly synthesized compounds. Similarly, theoretical analysis was accomplished utilizing density functional theory calculations. DFT/B3LYP (6-31G d, p) technique was used. With a view to explore the structure activity relationship (SAR) of the compounds theoretical docking analysis (against α-amylase, α-glucosidase) was also performed to have pictorial view and understanding of the actual interactions responsible for the activity. S_2M displayed best antibacterial activity. Similarly, Antifungal and antidiabetic activities showed G_3F as a best candidate, whereas T_2M proved to be the best antioxidant agent.