Research Information System
Journal of Electroanalytical Chemistry, vol.999, 2025 (SCI-Expanded, Scopus)
This study investigated the interaction between tofacitinib (TFC), a Janus Kinase (JAK) inhibitor, and ct-dsDNA (calf thymus double-stranded deoxyribonucleic acid) for the first time. By using differential pulse voltammetry (DPV) in two distinct ways (biosensor and in-solution) the relationship between TFC and ct-dsDNA was examined. ct-dsDNA has been determined based on the reduction in oxidation signals of both adenine and guanine. The observed interaction was confirmed by polyguanine (poly(G)) and polyadenine (poly(A)) in solution investigations, which showed a 52.91 % and 68.42 % decrease in oxidation peaks, respectively. The determination limits in the linear range of 4–200 μM were calculated to be 1.17 μM for guanine and 1.18 μM for adenine. Interaction experiments demonstrated that TFC binds to ct-dsDNA by an intercalation mechanism, with a binding coefficient determined to be 7.47 × 104 M−1using cyclic voltammetry (CV). The intercalation interaction mode has also been supported by FTIR spectra. Additionally, using a commercial serum sample enabled the developed biosensor's accuracy to be confirmed. ct-dsDNA was exposed to damage by UV-C radiation and Fenton's reagent, after which its interaction with TFC was examined using DPV. The complex development seen in the UV spectra corroborates the findings of the electrochemical study. Molecular docking analysis indicated that TFC binds to ct-dsDNA with a binding energy of −7.3 kcal/mol, suggesting a stable interaction. The binding was stabilized by four strong intermolecular hydrogen bonds, two with adenine and two with guanine as well as additional interactions, including carbon–hydrogen bonding, π-donor hydrogen bonding, and van der Waals forces. In addition, AGREE, AGREEprep, and BAGI calculations were performed to evaluate the green profile, sustainability, and practicality of the developed sensor.