Identification of potential descriptors of water-soluble fullerene derivatives responsible for antitumor effects on lung cancer cells via QSAR analysis

Huang, Hung-Jin; Chetyrkina, Margarita R.; Wong, Chui‐Wei; Kraevaya, Olga A.; Zhilenkov, Alexander V.; Voronov, Ilya I.; Wang, Pei-Hwa; Troshin, Pavel A.; Hsu, Shan-hui

doi:10.1016/j.csbj.2021.01.012

Cited by 12 publications

(6 citation statements)

References 65 publications

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“…This has the potential to further summarize physiochemical and biological analyses to predict toxicity effects or establish ideal nanomaterials. Several QSAR modeling studies have been conducted to better comprehend the nanotoxicity of chemical substitutes such as NPs, metal oxides, and fullerenes [ 97 , 98 , 99 ]. To avoid animal testing, some governments use QSAR tools for toxic hazard prediction.…”

Section: Emerging Methods To Evaluate Toxicity Of Nanoparticlesmentioning

confidence: 99%

Experimental Methods for the Biological Evaluation of Nanoparticle-Based Drug Delivery Risks

et al. 2023

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Many novel medical therapies use nanoparticle-based drug delivery systems, including nanomaterials through drug delivery systems, diagnostics, or physiologically active medicinal products. The approval of nanoparticles with advanced therapeutic and diagnostic potentials for applications in medication and immunization depends strongly on their synthesizing procedure, efficiency of functionalization, and biological safety and biocompatibility. Nanoparticle biodistribution, absorption, bioavailability, passage across biological barriers, and biodistribution are frequently assessed using bespoke and biological models. These methods largely rely on in vitro cell-based evaluations that cannot predict the complexity involved in preclinical and clinical studies. Therefore, assessing the nanoparticle risk has to involve pharmacokinetics, organ toxicity, and drug interactions manifested at multiple cellular levels. At the same time, there is a need for novel approaches to examine nanoparticle safety risks due to increased constraints on animal exploitation and the demand for high-throughput testing. We focus here on biological evaluation methodologies that provide access to nanoparticle interactions with the organism (positive or negative via toxicity). This work aimed to provide a perception regarding the risks associated with the utilization of nanoparticle-based formulations with a particular focus on assays applied to assess the cytotoxicity of nanomaterials.

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Section: Emerging Methods To Evaluate Toxicity Of Nanoparticlesmentioning

confidence: 99%

Experimental Methods for the Biological Evaluation of Nanoparticle-Based Drug Delivery Risks

et al. 2023

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“…Reaction of chlorofullerene C 60 Cl 6 with methyl 2-(thiophen-2-yl)acetate, followed by the treatment with PPh 3 /H 2 O and hydrolysis of the ester groups, allowed us to obtain compound 5 , as described in our recent work [ 18 ]. Synthesis and characterization of fullerene derivatives 1 [ 16 ], 2 [ 19 ], 4 [ 19 ], and 5 [ 18 ] was reported earlier. Compound 3 was obtained as described in the Supplementary Materials and characterized in the form of a tert -butyl ester ( 3 -OtBu).…”

Section: Methodsmentioning

confidence: 99%

Water-Soluble Fullerene C60 Derivatives Are Effective Inhibitors of Influenza Virus Replication

et al. 2023

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The influenza virus genome features a very high mutation rate leading to the rapid selection of drug-resistant strains. Due to the emergence of drug-resistant strains, there is a need for the further development of new potent antivirals against influenza with a broad activity spectrum. Thus, the search for a novel, effective broad-spectrum antiviral agent is a top priority of medical science and healthcare systems. In this paper, derivatives based on fullerenes with broad virus inhibiting activities in vitro against a panel of influenza viruses were described. The antiviral properties of water-soluble fullerene derivatives were studied. It was demonstrated that the library of compounds based on fullerenes has cytoprotective activity. Maximum virus-inhibiting activity and minimum toxicity were found with compound 2, containing residues of salts of 2-amino-3-cyclopropylpropanoic acid (CC50 > 300 µg/mL, IC50 = 4.73 µg/mL, SI = 64). This study represents the initial stage in a study of fullerenes as anti-influenza drugs. The results of the study lead us conclude that five leading compounds (1–5) have pharmacological prospects.

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“…The unique physicochemical properties of fullerenes, as well as their ability to penetrate the cell membrane [15,16], suggest their applicability in biomedicine, in particular, as vectors for drug delivery [14,17]. A number of studies have demonstrated that fullerenes and their derivatives have antitumor activity [18][19][20]. In addition, the use of fullerenes in photodynamic therapy [21][22][23] and as carriers of radioactive atoms for the treatment or diagnosis of oncological diseases [24][25][26] seems very interesting.…”

Section: Introductionmentioning

confidence: 99%

Fullerene C60 Conjugate with Folic Acid and Polyvinylpyrrolidone for Targeted Delivery to Tumor Cells

Borisenkova,

Bolshakova,

Titova

et al. 2024

IJMS

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The use of targeted drug delivery systems, including those based on selective absorption by certain receptors on the surface of the target cell, can lead to a decrease in the minimum effective dose and the accompanying toxicity of the drug, as well as an increase in therapeutic efficacy. A fullerene C60 conjugate (FA-PVP-C60) with polyvinylpyrrolidone (PVP) as a biocompatible spacer and folic acid (FA) as a targeting ligand for tumor cells with increased expression of folate receptors (FR) was obtained. Using 13C NMR spectroscopy, FT-IR, UV-Vis spectrometry, fluorometry and thermal analysis, the formation of the conjugate was confirmed and the nature of the binding of its components was established. The average particle sizes of the conjugate in aqueous solutions and cell culture medium were determined using dynamic light scattering (DLS) and nanoparticle tracking analysis (NTA). The FA-PVP-C60 showed antiradical activity against •DPPH, •OH and O2•−, but at the same time, it was shown to generate 1O2. It was found that the conjugate in the studied concentration range (up to 200 μg/mL) is non-toxic in vitro and does not affect the cell cycle. To confirm the ability of the conjugate to selectively accumulate through folate-mediated endocytosis, its uptake into cells was analyzed by flow cytometry and confocal microscopy. It was shown that the conjugate is less absorbed by A549 cells with low FR expression than by HeLa, which has a high level of expression of this receptor.

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Identification of potential descriptors of water-soluble fullerene derivatives responsible for antitumor effects on lung cancer cells via QSAR analysis

Cited by 12 publications

References 65 publications

Experimental Methods for the Biological Evaluation of Nanoparticle-Based Drug Delivery Risks

Experimental Methods for the Biological Evaluation of Nanoparticle-Based Drug Delivery Risks

Water-Soluble Fullerene C60 Derivatives Are Effective Inhibitors of Influenza Virus Replication

Fullerene C60 Conjugate with Folic Acid and Polyvinylpyrrolidone for Targeted Delivery to Tumor Cells

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