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Biological evaluation and molecular dynamics simulation of water-soluble fullerene derivative C60[C(COOH)2]3. / Gaponenko, Ivan N.; Ageev, Sergei V.; Iurev, Gleb O.; Shemchuk, Olga S.; Meshcheriakov, Anatolii A.; Petrov, Andrey V.; Solovtsova, Irina L.; Vasina, Lubov V.; Tennikova, Tatiana B.; Murin, Igor V.; Semenov, Konstantin N.; Sharoyko, Vladimir V.

In: Toxicology in Vitro, Vol. 62, 104683, 02.2020.

Research output: Contribution to journal › Article › peer-review

Harvard

Gaponenko, IN, Ageev, SV, Iurev, GO, Shemchuk, OS, Meshcheriakov, AA, Petrov, AV, Solovtsova, IL, Vasina, LV, Tennikova, TB, Murin, IV, Semenov, KN & Sharoyko, VV 2020, 'Biological evaluation and molecular dynamics simulation of water-soluble fullerene derivative C60[C(COOH)2]3', Toxicology in Vitro, vol. 62, 104683. https://doi.org/10.1016/j.tiv.2019.104683

APA

Gaponenko, I. N., Ageev, S. V., Iurev, G. O., Shemchuk, O. S., Meshcheriakov, A. A., Petrov, A. V., Solovtsova, I. L., Vasina, L. V., Tennikova, T. B., Murin, I. V., Semenov, K. N., & Sharoyko, V. V. (2020). Biological evaluation and molecular dynamics simulation of water-soluble fullerene derivative C60[C(COOH)2]3. Toxicology in Vitro, 62, [104683]. https://doi.org/10.1016/j.tiv.2019.104683

Vancouver

Gaponenko IN, Ageev SV, Iurev GO, Shemchuk OS, Meshcheriakov AA, Petrov AV et al. Biological evaluation and molecular dynamics simulation of water-soluble fullerene derivative C60[C(COOH)2]3. Toxicology in Vitro. 2020 Feb;62. 104683. https://doi.org/10.1016/j.tiv.2019.104683

Author

Gaponenko, Ivan N. ; Ageev, Sergei V. ; Iurev, Gleb O. ; Shemchuk, Olga S. ; Meshcheriakov, Anatolii A. ; Petrov, Andrey V. ; Solovtsova, Irina L. ; Vasina, Lubov V. ; Tennikova, Tatiana B. ; Murin, Igor V. ; Semenov, Konstantin N. ; Sharoyko, Vladimir V. / Biological evaluation and molecular dynamics simulation of water-soluble fullerene derivative C60[C(COOH)2]3. In: Toxicology in Vitro. 2020 ; Vol. 62.

BibTeX

@article{f1911059a757432ba7b3e87fc212c913,
title = "Biological evaluation and molecular dynamics simulation of water-soluble fullerene derivative C60[C(COOH)2]3",
abstract = "One of the most studied fullerene members, C60, has a potential of application in various fields of biomedicine including reactive oxygen species (ROS) scavenging activity, inhibiting of tumours development, inactivating of viruses and bacteria, as well as elaboration of diagnostic and targeted drug delivery tools. However, the hydrophobicity of this molecule impedes its practical use, therefore the actuality of the research devoted to functionalisation of fullerenes leading to amphiphilic derivatives remains important. In this work, the water-soluble carboxylated fullerene derivative C60[C(COOH)2]3 was studied. Extensive biomedical investigation of this compound, namely, the binding with human serum albumin (HSA), radical scavenging activity in the reaction with diphenylpicrylhydrazyl (DPPH) radical, photodynamic properties, cytotoxicity in human embryonic kidney (HEK293) cell line, erythrocytes' haemolysis, platelet aggregation, and genotoxicity in human peripheral mononuclear cells (PBMC) was conducted. Moreover, the dynamic and structural characteristics of C60[C(COOH)2]3–H2O binary system were obtained using molecular dynamic (MD) method, and size distribution of C60[C(COOH)2]3 associates was measured.",
keywords = "carboxylated fullerene, cytotoxicity, genotoxicity, radical scavenging activity, haemolysis, platelet aggregation, Carboxylated fullerene, Cytotoxicity, Genotoxicity, Haemolysis, Platelet aggregation, Radical scavenging activity, Water, Free Radical Scavengers/pharmacology, Biphenyl Compounds/toxicity, Humans, Solubility, Male, Cell Survival/drug effects, Molecular Dynamics Simulation, Picrates/toxicity, Computer Simulation, HEK293 Cells, Protein Binding, Adult, Female, Platelet Aggregation/drug effects, Fullerenes/chemistry, Mutagens/toxicity, DNA-DAMAGE, NANOMATERIALS, DELIVERY, PHYSICOCHEMICAL PROPERTIES, C-60, CARBOXYFULLERENE, CELLS, OXIDATIVE STRESS, SINGLET OXYGEN, SYSTEMS",
author = "Gaponenko, {Ivan N.} and Ageev, {Sergei V.} and Iurev, {Gleb O.} and Shemchuk, {Olga S.} and Meshcheriakov, {Anatolii A.} and Petrov, {Andrey V.} and Solovtsova, {Irina L.} and Vasina, {Lubov V.} and Tennikova, {Tatiana B.} and Murin, {Igor V.} and Semenov, {Konstantin N.} and Sharoyko, {Vladimir V.}",
year = "2020",
month = feb,
doi = "10.1016/j.tiv.2019.104683",
language = "English",
volume = "62",
journal = "Toxicology in Vitro",
issn = "0887-2333",
publisher = "Elsevier",

}

RIS

TY - JOUR

T1 - Biological evaluation and molecular dynamics simulation of water-soluble fullerene derivative C60[C(COOH)2]3

AU - Gaponenko, Ivan N.

AU - Ageev, Sergei V.

AU - Iurev, Gleb O.

AU - Shemchuk, Olga S.

AU - Meshcheriakov, Anatolii A.

AU - Petrov, Andrey V.

AU - Solovtsova, Irina L.

AU - Vasina, Lubov V.

AU - Tennikova, Tatiana B.

AU - Murin, Igor V.

AU - Semenov, Konstantin N.

AU - Sharoyko, Vladimir V.

PY - 2020/2

Y1 - 2020/2

N2 - One of the most studied fullerene members, C60, has a potential of application in various fields of biomedicine including reactive oxygen species (ROS) scavenging activity, inhibiting of tumours development, inactivating of viruses and bacteria, as well as elaboration of diagnostic and targeted drug delivery tools. However, the hydrophobicity of this molecule impedes its practical use, therefore the actuality of the research devoted to functionalisation of fullerenes leading to amphiphilic derivatives remains important. In this work, the water-soluble carboxylated fullerene derivative C60[C(COOH)2]3 was studied. Extensive biomedical investigation of this compound, namely, the binding with human serum albumin (HSA), radical scavenging activity in the reaction with diphenylpicrylhydrazyl (DPPH) radical, photodynamic properties, cytotoxicity in human embryonic kidney (HEK293) cell line, erythrocytes' haemolysis, platelet aggregation, and genotoxicity in human peripheral mononuclear cells (PBMC) was conducted. Moreover, the dynamic and structural characteristics of C60[C(COOH)2]3–H2O binary system were obtained using molecular dynamic (MD) method, and size distribution of C60[C(COOH)2]3 associates was measured.

AB - One of the most studied fullerene members, C60, has a potential of application in various fields of biomedicine including reactive oxygen species (ROS) scavenging activity, inhibiting of tumours development, inactivating of viruses and bacteria, as well as elaboration of diagnostic and targeted drug delivery tools. However, the hydrophobicity of this molecule impedes its practical use, therefore the actuality of the research devoted to functionalisation of fullerenes leading to amphiphilic derivatives remains important. In this work, the water-soluble carboxylated fullerene derivative C60[C(COOH)2]3 was studied. Extensive biomedical investigation of this compound, namely, the binding with human serum albumin (HSA), radical scavenging activity in the reaction with diphenylpicrylhydrazyl (DPPH) radical, photodynamic properties, cytotoxicity in human embryonic kidney (HEK293) cell line, erythrocytes' haemolysis, platelet aggregation, and genotoxicity in human peripheral mononuclear cells (PBMC) was conducted. Moreover, the dynamic and structural characteristics of C60[C(COOH)2]3–H2O binary system were obtained using molecular dynamic (MD) method, and size distribution of C60[C(COOH)2]3 associates was measured.

KW - carboxylated fullerene

KW - cytotoxicity

KW - genotoxicity

KW - radical scavenging activity

KW - haemolysis

KW - platelet aggregation

KW - Carboxylated fullerene

KW - Cytotoxicity

KW - Genotoxicity

KW - Haemolysis

KW - Platelet aggregation

KW - Radical scavenging activity

KW - Water

KW - Free Radical Scavengers/pharmacology

KW - Biphenyl Compounds/toxicity

KW - Humans

KW - Solubility

KW - Male

KW - Cell Survival/drug effects

KW - Molecular Dynamics Simulation

KW - Picrates/toxicity

KW - Computer Simulation

KW - HEK293 Cells

KW - Protein Binding

KW - Adult

KW - Female

KW - Platelet Aggregation/drug effects

KW - Fullerenes/chemistry

KW - Mutagens/toxicity

KW - DNA-DAMAGE

KW - NANOMATERIALS

KW - DELIVERY

KW - PHYSICOCHEMICAL PROPERTIES

KW - C-60

KW - CARBOXYFULLERENE

KW - CELLS

KW - OXIDATIVE STRESS

KW - SINGLET OXYGEN

KW - SYSTEMS

UR - http://www.scopus.com/inward/record.url?scp=85074150018&partnerID=8YFLogxK

UR - https://www.mendeley.com/catalogue/9b7b7431-17a7-3aea-92ec-fda343a59a66/

U2 - 10.1016/j.tiv.2019.104683

DO - 10.1016/j.tiv.2019.104683

M3 - Article

C2 - 31639450

AN - SCOPUS:85074150018

VL - 62

JO - Toxicology in Vitro

JF - Toxicology in Vitro

SN - 0887-2333

M1 - 104683

ER -

ID: 50969182