The ability of gold nanoclusters as a new nanocarrier for D-penicillamine anticancer drug: a computational chemistry study

El-Mageed, H. R. Abd; Mustafa, Fathy M.; Abdel-Latif, Mahmoud K.

doi:10.1007/s11224-019-01462-2

Cited by 11 publications

(12 citation statements)

References 33 publications

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“…In addition, gold nanoclusters typically provide a suitable surface for loading various therapeutic agents, such as small biomolecules, peptides, proteins, and nucleic acids. 14 El-Mageed and co-workers 33 also examined the interactions of d -penicillamine with some small gold clusters (Au n , n = 2, 4, and 6) and observed rather strong interactions between them which are governed by the anchoring Au–O/S/N bond, unconventional hydrogen Au⋯H–S bonding, and electrostatic Au⋯H–C coupling. Likewise, a variety of drugs and biomolecules such as methimazole, 34 tamoxifen, 35 amino acids, 36 DNA bases, 31,37,38 curcumin, 39 pectin, 40 and others 31 have also been found to strongly be adsorbed on the surface of gold nanoclusters with significant electronic responses.…”

Section: Introductionmentioning

confidence: 99%

Gold nanoclusters as prospective carriers and detectors of pramipexole

et al. 2021

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Section: Introductionmentioning

confidence: 99%

Gold nanoclusters as prospective carriers and detectors of pramipexole

et al. 2021

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“…16 ). The adsorption (ΔE ads ), interaction (E int ), and deformation (E def ) energies as well as substrate-adsorbate configurations (dE ads /d Ni ) 72 , in which one of the adsorbate components has been removed, are summarized (Table 5 ). ΔE ads for all configurations in this study are negative which revealed that the adsorption of DR molecule on CF and CA surfaces with different units was exothermic, energetically favorable and spontaneous, due to the existence of the intermolecular interactions.…”

Section: Resultsmentioning

confidence: 99%

Experimentally and theoretically approaches for disperse red 60 dye adsorption on novel quaternary nanocomposites

Soliman

Moustafa

El-Mageed

et al. 2021

Sci Rep

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A comprehensive study that combined both experimental and computational experiments was performed to evaluate the usage of organo-metal oxide nanocomposite for the elimination of disperse red 60 dye (DR) from aqueous solutions. Chitosan was modified by Schiff base to form nanoneedles chitosan-4-chloroacetophenone derivative. The derivatives were then impregnated with CeO2–CuO–Fe2O3 or CeO2–CuO–Al2O3 metal oxides to prepare a novel quarternary organo-metal oxide nanocomposite. The novel nanocomposite, chitosan-4-chloroacetophenone/CeO2–CuO–Fe2O3 (CF) and chitosan-4-chloroacetophenone/CeO2–CuO–Al2O3 (CA) are cheap and effective nano adsorbents that can be used for the uptake of DR from aqueous solution. The CF and CA nano-composites were characterized using different techniques. Moreover, the effect of adsorption parameters (initial DR concentration, time of contact, pH, temperature, and adsorbent mass) as well as CA and CF reusability tests were performed. Langmuir adsorption isotherm and pseudo-second-order kinetics models were best fitted with the adsorption process. The maximum amount of DR adsorbed was 100 mg/g on CF and CA at pH 2 and 4, respectively with a physical spontaneous, and exothermic adsorption process. Monte Carlo (MC) simulation studies indicated the adsorption of DR molecule on the CF and CA surfaces following a parallel mode in most of all studied configurations, confirming the strong interactions between the DR and surfaces atoms of CF and CA. The molecular structure analysis of DR dye adsorbed on the surface of CF and CA indicated that the adsorption process related to Van der Waals dispersion force. Consequently, this helps to trap DR dye molecules on the surface of CF and CA (i.e., physical adsorption), which supports our experimental results.

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“…El-Mageed et al found in silico that AuNCs have the ability to act as a drug delivery system for d -penicillamine in cancer treatment. 94 This research focused mostly on modeling the potential interactions and binding energies between d -penicillamine and gold. It was found that the drug would be coupled to the gold core mainly via physical interactions.…”

Section: Auncs As a Tool In Therapymentioning

confidence: 99%

“…Examples of these are the Au−O/S/N bonds, hydrogen bonds, and electrostatic bonds. 94 Recently, Hebels et al reported a first-in-class platform employing AuNCs for light induced tumor cell killing. 11 The AuNCs were formed into a stabilized core-cross-linked micelle system based on PEG and thermosensitive poly(N-isopropylacrylamide) (PNIPAM).…”

Section: Auncs As a Tool In Therapymentioning

confidence: 99%

“…AuNCs have not only been investigated as a drug carrier in vitro and in vivo . El-Mageed et al found in silico that AuNCs have the ability to act as a drug delivery system for d -penicillamine in cancer treatment . This research focused mostly on modeling the potential interactions and binding energies between d -penicillamine and gold.…”

Section: Auncs As a Tool In Therapymentioning

confidence: 99%

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Gold Nanoclusters: Imaging, Therapy, and Theranostic Roles in Biomedical Applications

et al. 2021

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For the past two decades, atomic gold nanoclusters (AuNCs, ultrasmall clusters of several to 100 gold atoms, having a total diameter of <2 nm) have emerged as promising agents in the diagnosis and treatment of cancer. Owing to their small size, significant quantization occurs to their conduction band, which leads to emergent photonic properties and the disappearance of the plasmonic responses observed in larger gold nanoparticles. For example, AuNCs exhibit native luminescent properties, which have been well-explored in the literature. Using proteins, peptides, or other biomolecules as structural scaffolds or capping ligands, required for the stabilization of AuNCs, improves their biocompatibility, while retaining their distinct optical properties. This paved the way for the use of AuNCs in fluorescent bioimaging, which later developed into multimodal imaging combined with computer tomography and magnetic resonance imaging as examples. The development of AuNC-based systems for diagnostic applications in cancer treatment was then made possible by employing active or passive tumor targeting strategies. Finally, the potential therapeutic applications of AuNCs are extensive, having been used as light-activated and radiotherapy agents, as well as nanocarriers for chemotherapeutic drugs, which can be bound to the capping ligand or directly to the AuNCs via different mechanisms. In this review, we present an overview of the diverse biomedical applications of AuNCs in terms of cancer imaging, therapy, and combinations thereof, as well as highlighting some additional applications relevant to biomedical research.

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The ability of gold nanoclusters as a new nanocarrier for D-penicillamine anticancer drug: a computational chemistry study

Cited by 11 publications

References 33 publications

Gold nanoclusters as prospective carriers and detectors of pramipexole

Gold nanoclusters as prospective carriers and detectors of pramipexole

Experimentally and theoretically approaches for disperse red 60 dye adsorption on novel quaternary nanocomposites

Gold Nanoclusters: Imaging, Therapy, and Theranostic Roles in Biomedical Applications

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