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<p>The controlled release monitoring of drug-metal complex in biological matrices remains a major challenge in advanced drug delivery. In this research work, the methacycline-copper(II) complex (MTC-Cu(II)) was synthesized by reflux coordination, producing a thermally (TGA/DSC) stabilized complex (M.P. 255&#xa0;°C vs. 217&#xa0;°C for MTC; DSC peak 351&#xa0;°C). UV-Vis spectroscopy revealed a ligand-to-metal charge transfer band at 678&#xa0;nm, and Job’s plot confirmed 1:1 stoichiometry. FTIR and Raman analysis demonstrated coordination through oxygen and nitrogen donor sites, while Raman-PCA showed clear spectral discrimination (PC-1 87.01% variance). PXRD and SEM-EDX confirmed structural reorganization and uniform Cu(II) incorporation (13.16 wt%). Biologically, MTC-Cu(II) exhibited enhanced antibacterial activity with inhibition zones of 29&#xa0;mm (<i>S. aureus</i>) and 23&#xa0;mm (<i>E. coli</i>), reduced MIC values (1.0 and 3.5&#xa0;µg/mL), and improved biofilm inhibition (68% and 55%). Antioxidant activity reached 85% DPPH scavenging, while hemolysis remained below 5%, indicating good hemocompatibility. <i>In-silico</i> interactions revealed strong binding affinities (up to -8.5&#xa0;kcal/mol) with stable conformations (RMSD &lt; 2.0Å). Incorporation into a PNIPAM/Ag/Fe<sub>2</sub>O<sub>3</sub> hybrid microgel enabled sustained release in blood serum over 36&#xa0;h. SERS-PLSR quantification demonstrated excellent predictive accuracy (R<sup>2</sup> = 0.995, RMSEP = 0.106-0.154 ppm), and validated by UV-Vis spectroscopy measurement. Kinetic modeling (zero-order, first-order, Higuchi, and Korsmeyer-Peppas) revealed that the release was diffusion controlled, although slower release of the Cu(II) complex was observed because of the metal-ligand stability. This work demonstrates a synergistic platform offering a promising strategy for the next-generation antibacterial therapeutics with tunable kinetics.</p>

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Spectroscopic-Chemometric Monitoring of Methacycline-Copper(II) Complex In-Vitro Release Kinetics from Microgel in Blood Serum: Synthesis, Bioactivities and In-Silico Validation

  • 期刊论文

  • 发表日期：

    2026年3月28日

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  • Rayan Y. Mushtaq,
  • Nasir Mehmood,
  • Mohammed Alissa,
  • Ghadah S. Abusalim,
  • Awaji Y. Safhi,
  • Musaad M. Althobaiti,
  • Anfal Fatima,
  • Arslan Bashir

摘要

The controlled release monitoring of drug-metal complex in biological matrices remains a major challenge in advanced drug delivery. In this research work, the methacycline-copper(II) complex (MTC-Cu(II)) was synthesized by reflux coordination, producing a thermally (TGA/DSC) stabilized complex (M.P. 255 °C vs. 217 °C for MTC; DSC peak 351 °C). UV-Vis spectroscopy revealed a ligand-to-metal charge transfer band at 678 nm, and Job’s plot confirmed 1:1 stoichiometry. FTIR and Raman analysis demonstrated coordination through oxygen and nitrogen donor sites, while Raman-PCA showed clear spectral discrimination (PC-1 87.01% variance). PXRD and SEM-EDX confirmed structural reorganization and uniform Cu(II) incorporation (13.16 wt%). Biologically, MTC-Cu(II) exhibited enhanced antibacterial activity with inhibition zones of 29 mm (S. aureus) and 23 mm (E. coli), reduced MIC values (1.0 and 3.5 µg/mL), and improved biofilm inhibition (68% and 55%). Antioxidant activity reached 85% DPPH scavenging, while hemolysis remained below 5%, indicating good hemocompatibility. In-silico interactions revealed strong binding affinities (up to -8.5 kcal/mol) with stable conformations (RMSD < 2.0Å). Incorporation into a PNIPAM/Ag/Fe2O3 hybrid microgel enabled sustained release in blood serum over 36 h. SERS-PLSR quantification demonstrated excellent predictive accuracy (R2 = 0.995, RMSEP = 0.106-0.154 ppm), and validated by UV-Vis spectroscopy measurement. Kinetic modeling (zero-order, first-order, Higuchi, and Korsmeyer-Peppas) revealed that the release was diffusion controlled, although slower release of the Cu(II) complex was observed because of the metal-ligand stability. This work demonstrates a synergistic platform offering a promising strategy for the next-generation antibacterial therapeutics with tunable kinetics.