Molecularly imprinted polymers (MIPs) stand out in various biomedical realms as potent and expanding nanoplatforms. This research employed a surface molecular imprinting approach, in which a polydopamine shell was polymerized around Fe3O4@SiO2@FITC nanoparticles in the presence of curcumin (template). After template removal, surface-exposed recognition sites complementary to curcumin were formed, confirming successful imprinting. The synthesized fluorescent magnetic MIPs (FMMIPs) exhibited significant drug loading capacity and responsiveness to magnetic fields, serving as efficient carriers for CUR delivery. Characterization of FMMIPs was executed through FTIR, SEM, TGA, XRD, vibrating sample magnetometry, and dynamic light scattering. The magnetization value of FMMIP was measured at 0.045 emu/g, underscoring its robust magnetic responsiveness to external fields. In-vivo studies for CUR loading and release unveiled that under tissue conditions (pH 5 and 41 °C) a maximal CUR release of 71.33 % occurred, following a sustained profile, compared to the standard physiological environment (pH 7.4 and 37 °C). In diabetic rats, treatment with FMMIP-CUR resulted in 97.55 % wound healing, surpassing the standard treatment with silver sulfadiazine. Histopathological evaluations further confirmed marked enhancements in re-epithelialization, fibroblast activity, and angiogenesis in diabetic wounds after 12 days of treatment. To explore the antibacterial potential of CUR, molecular docking and molecular dynamics (MD) simulations were conducted against P. aeruginosa (4KQR) and S. aureus (3Q8U) targets. CUR exhibited stronger binding affinities compared to ciprofloxacin, forming stable hydrogen bonds and hydrophobic interactions with key residues. The MD simulations over 100 ns revealed greater interaction stability and diversity in the 4KQR–CUR complex, while CUR's interaction with 3Q8U was more dynamic. ADMET predictions confirmed favorable pharmacokinetics and drug-likeness for both compounds, with CUR showing good oral bioavailability, moderate solubility, low toxicity, and acceptable metabolic profiles. The adsorption of CUR onto FMMIPs followed the Freundlich isotherm model (R2 = 0.991) indicating heterogeneous surface binding and the presence of multiple adsorption sites with varying affinities. These results demonstrate FMMIP nanocarrier's potential as a viable option for antidiabetic drug delivery systems.
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