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Nanoscale materials have demonstrated a very high potential in anticancer therapy by properly adjusting their functionalization and physicochemical properties. Herein, we report the synthesis of some novel vanadocene-loaded silica-based nanomaterials incorporating four different S-containing amino acids (penicillamine, methionine, captopril, and cysteine) and different fluorophores (rhodamine B, coumarin 343 or Alexa Fluor™ 647), which have been characterized by diverse solid-state spectroscopic techniques viz; FTIR, diffuse reflectance spectroscopies, 13 C and 51 V solid-state NMR spectroscopy, thermogravimetry and TEM. The analysis of the biological activity of the novel vanadocene-based nanostructured silicas showed that the materials containing cysteine and captopril aminoacids demonstrated high cytotoxicity and selectivity against triple negative breast cancer cells, making them very promising antineoplastic drug candidates. According to the biological results it seems that vanadium activity is connected to its incorporation through the amino acid, resulting in synergy that increases the cytotoxic activity against cancer cells of the studied materials presumably by increasing cell internalization. The results presented herein hold significant potential for future developments in mesoporous silica-supported metallodrugs, which exhibit strong cytotoxicity while maintaining low metal loading. They also show potential for theranostic applications highlighted by the analysis of the optical properties of the studied systems after incorporating rhodamine B, coumarin 343 (possible) in vitro anticancer analysis, or Alexa Fluor™ 647 ( in vivo studies of cancer models)., (© 2024 IOP Publishing Ltd.)

Aims: The fight against cancer is an active research topic that combines several disciplines to find suitable agents to treat various tumours., Background: Following cisplatin, organometallic compounds, including titanocene derivatives, have been tested as antitumoral agents. However, key issues still need to be addressed in metallodrug chemotherapy relating to solubility, stability, and dosage. Mesoporous silica nanoparticles, being low toxic biocompatible materials with high loading capacity, are ideal candidates to overcome these problems., Objective: This study aimed to prepare and structurally characterize titanocene functionalized mesoporous silica nanoparticles and evaluate their cytotoxic activity against cancer cells., Methods: The preparation of titanocene functionalized mesoporous silica nanoparticles was achieved by synthetic protocols, involving either grafting or tethering. Characterization was carried out using standard techniques, FT-IR, XRD, XRF, TEM, and BET. The titanocene functionalized materials were studied as antitumoral agents in the breast cancer lines MCF-7 and MDA-MB-231., Results: The functionalized MSN showed promising antitumoral activity against cells lines MCF-7 and MDAMB- 231 up to 9 times more than titanocene alone., Conclusion: This study reported the potential of titanocene-functionalized mesoporous silica nanoparticles in future chemotherapeutic actions., (Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.net.)