Exploitation of a Triphenylamine‐Based Star‐burst Compound for Multifunctional Applications: Anticorrosion, Antidiabetic, Antioxidant, and Computational Insights

In the present investigation, the synthesized triphenyl‐based star‐burst compound of pentyl‐substituted naphthalene (P1NTT) compound was utilized as an inhibitor of corrosion for Fe (110) surface in 1 M HCl activation under static conditions. According to electrochemical impedance spectroscopy (EIS) studies, at a concentration of 0.400 g/L of P1NTT, the charge transfer resistance increased from 11.12 to 55.33 Ω cm 2 . Additionally, quantum chemical calculations using density functional theory (DFT) demonstrated the inhibitor's reactivity and adsorption characteristics, which were confirmed by Fukui functions, Fractional Free Volume (FFV), and Monte Carlo (MC) simulations. Further, antidiabetic and antioxidant tests were conducted in vitro to assess the pharmacological efficacy of P1NTT compound. The EC 50 values for α‐amylase and α‐glucosidase inhibition which were used to measure the antidiabetic action were 55.68 µg/mL ± 0.28 and 53.89 ± 0.43 µg/mL, respectively. The ligand (P1NTT) and α‐amylase (1B2Y)/ α‐glucosidase (3WY1) protein interaction was examined through the molecular docking studies. In the H 2 O 2 assay, the antioxidant activity of P1NTT peaked at an enzyme inhibition percentage of 86.21%. The findings of this investigation show that P1NTT has encouraging anticorrosion, antidiabetic, and antioxidant qualities, opening the door for its use in chemical and healthcare industries.