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article · Inorganic Chemistry Communications

Designing of novel nano-sized coordination compounds based on Spinacia oleracea extract: Synthesis, structural characterization, molecular docking, computational calculations, and biomedical applications

202431 citationsOpen accessUniversity of Sadat City

In plain language

Researchers developed nano-sized metal complexes using an azo-methine ligand combined with iron, nickel, and silver ions to explore their potential as antitumor treatments. The nano-sized iron and silver compounds were synthesised through an eco-friendly method employing spinach (Spinacia oleracea) extract. Structural and thermal investigations revealed that the nickel and silver compounds formed distorted square-planar geometries, while the iron complex assumed an octahedral geometry. Computational calculations established that all synthesized metal complexes were more stable than the base ligand, with the nickel complex exhibiting the highest stability. Laboratory testing of these compounds in cell cultures showed anticancer activity, with smaller nanoparticles demonstrating greater effectiveness in inhibiting cancer cells compared to larger particles. Additionally, molecular docking simulations were conducted to evaluate binding interactions with targets relevant to liver cancer and COVID-19.

Key takeaways

  • Nano-sized iron and silver metal complexes were synthesised using Spinacia oleracea extract via a rapid, eco-friendly method.
  • Computational analysis showed all synthesized metal complexes were more stable than the free ligand, with the nickel complex displaying the greatest stability.
  • Laboratory tests confirmed that the prepared micro- and nano-complexes inhibit cancer cell activity in vitro, with smaller particle sizes exhibiting superior performance.
  • Molecular docking calculations assessed the binding energies of the compounds against targets associated with liver cancer and COVID-19.

Why it matters

Developing new therapeutic compounds often requires sustainable synthesis methods alongside effective drug delivery. By using plant extracts to fabricate nanoscale metal complexes, this research demonstrates an eco-friendly route to producing active compounds. Furthermore, establishing that smaller nanoparticle dimensions enhance anticancer activity helps guide the rational design of more potent, targeted treatments for complex health conditions including liver cancer.

Commercialisation angle

This work presents an early-stage laboratory discovery that could eventually inform the development of novel oncology or antiviral therapeutics. The primary users would be pharmaceutical research teams and medicinal chemists working on metal-based nanomaterials. Because testing remains restricted to in vitro assays and computational docking simulations, these compounds are at a very early research stage and require extensive preclinical validation before practical clinical or commercial use.

AI-generated from the published abstract. Always read the original work before citing.

Abstract

A novel series of nano-sized metal chelates of 1-((E)-(2-mercaptophenylimino)methyl)naphthalen-2-ol (H2L) Azo-methine ligand with Fe(III), Ni(II) and Ag(II) were prepared and investigated for antitumor activities. The structures of all the synthesized compounds have been analyzed using various physicochemical techniques. The results showed a distorted square-planar geometry for Ni2L2 and AgL, whereas the geometry around the FeL complex is octahedral. The nano-sized Fe and Ag complexes were prepared in an easy, rapid and eco-friendly way using Spinacia oleracea (SO) extract in EtOH. X-ray diffraction (XRD), transmission electron microscopy (TEM) and UV.Vis. spectra were used to assess the structural characteristics and particle size of the newly produced nano-sized Fe and Ag complexes. Furthermore, from TGA, we investigated the impact of heat on the particle size of newly prepared compounds. The geometry optimization of the prepared complexes and various quantum chemical parameters were computed by Gaussian 09 softwares. The results showed that all of the metal complexes studied are more stable than the free ligand H2L, with the Ni2L2 complex being the most stable. All micro- and nano-complexes were tested for in vitro anticancer activities, and the results revealed inhibition of cancer cell activity, although the smaller size is better than the larger size. The liver cancer and COVID‑19 were screened using molecular docking to determine the possible binding energy of inhibitors.

Research topics

  • Metal complexes synthesis and properties
  • Computational Drug Discovery Methods
  • Free Radicals and Antioxidants

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DOI: 10.1016/j.inoche.2023.111994

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