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<p>The mechanical strength, site action, stability, and biological activities of the pharmaceutical drugs have been improved by the metallic complexes as therapeutic coordination. In this research work, the surface-enhanced Raman spectroscopy (SERS) with chemometric tools and different spectroscopic techniques are used to compare the spectinomycin (SPM) and its prepared metal complexes. Experimentally, the antibiotic SPM is coordinated chemically as complexes of copper (II) and Zn (II). The one-pot synthesis is carried to synthesize the metal complexes by using copper chloride and zinc acetate di-hydrate in the methanol solvent to explore the biological activities and SERS detection. The silver nanoparticles are prepared using chemical reduction method as an active SERS substrate. The prepared complexes are characterized by using, UV–Vis spectrophotometer, Fourier transform infrared&#xa0;(FTIR) spectroscopy, thermogravimetric analysis (TGA), differential scanning calorimetry (DSC), and X-ray diffraction (XRD). The statistical tools principal component analysis (PCA), partial least squares-discriminant analysis&#xa0;(PLS-DA), and partial least squares regression (PLSR) are employed on the SERS spectral data to differentiate, discriminate, and quantify the SERS data sets. The DFT calculations for FTIR, Raman, and NMR and molecular docking for antibacterial activity and cytotoxicity are also compared. The cytotoxicity against human liver cancer cell line (HepG2), antibacterial activity, and hemolytic activity are also performed to analyze the biological potential of the prepared complexes. Drug metal complexes are loaded on the PVA/AgO nanobiocomposite hydrogel to analyze its in-vitro release kinetics in controlled release manner and analyzed by SERS and UV–Vis spectroscopic techniques. Both the prepared compounds with 66.58% (SPM-Cu complex) and 54.01% (SPM-Zn complex) percentage yields showed the remarkable biological potential in comparison to the antibiotic.</p>

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SERS-Driven Chemometric Comparative Monitoring, Kinetics Study from Stimuli-Responsive Nanobiocomposite, DFT, Molecular Docking, and Biological Potential of Spectinomycin and Its Metal Complexes

  • 期刊论文

  • 发表日期：

    2025年8月28日

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  • Abdul Naman,
  • Nasir Mehmood,
  • Anfal Fatima,
  • Minseok Kim,
  • Salah Knani,
  • Mahmoud El Safadi,
  • Sobia Younas

摘要

The mechanical strength, site action, stability, and biological activities of the pharmaceutical drugs have been improved by the metallic complexes as therapeutic coordination. In this research work, the surface-enhanced Raman spectroscopy (SERS) with chemometric tools and different spectroscopic techniques are used to compare the spectinomycin (SPM) and its prepared metal complexes. Experimentally, the antibiotic SPM is coordinated chemically as complexes of copper (II) and Zn (II). The one-pot synthesis is carried to synthesize the metal complexes by using copper chloride and zinc acetate di-hydrate in the methanol solvent to explore the biological activities and SERS detection. The silver nanoparticles are prepared using chemical reduction method as an active SERS substrate. The prepared complexes are characterized by using, UV–Vis spectrophotometer, Fourier transform infrared (FTIR) spectroscopy, thermogravimetric analysis (TGA), differential scanning calorimetry (DSC), and X-ray diffraction (XRD). The statistical tools principal component analysis (PCA), partial least squares-discriminant analysis (PLS-DA), and partial least squares regression (PLSR) are employed on the SERS spectral data to differentiate, discriminate, and quantify the SERS data sets. The DFT calculations for FTIR, Raman, and NMR and molecular docking for antibacterial activity and cytotoxicity are also compared. The cytotoxicity against human liver cancer cell line (HepG2), antibacterial activity, and hemolytic activity are also performed to analyze the biological potential of the prepared complexes. Drug metal complexes are loaded on the PVA/AgO nanobiocomposite hydrogel to analyze its in-vitro release kinetics in controlled release manner and analyzed by SERS and UV–Vis spectroscopic techniques. Both the prepared compounds with 66.58% (SPM-Cu complex) and 54.01% (SPM-Zn complex) percentage yields showed the remarkable biological potential in comparison to the antibiotic.