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Fullerene C60 containing porphyrin-like metal center as drug delivery system for ibuprofen drug

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dc.citedby59
dc.contributor.authorAlipour E.en_US
dc.contributor.authorAlimohammady F.en_US
dc.contributor.authorYumashev A.en_US
dc.contributor.authorMaseleno A.en_US
dc.contributor.authorid57199499882en_US
dc.contributor.authorid26530917100en_US
dc.contributor.authorid57189510951en_US
dc.contributor.authorid55354910900en_US
dc.date.accessioned2023-05-29T08:14:58Z
dc.date.available2023-05-29T08:14:58Z
dc.date.issued2020
dc.descriptioncobalt; fullerene derivative; ibuprofen; iron; nickel; porphyrin; coordination compound; fullerene C60; fullerene derivative; ibuprofen; metal; nanomaterial; porphyrin; adsorption; Article; controlled study; density functional theory; drug delivery system; drug release; nanomedicine; nucleophilicity; priority journal; quantum theory; static electricity; ultraviolet visible spectroscopy; chemistry; drug effect; human; inflammation; molecular model; Adsorption; Coordination Complexes; Drug Delivery Systems; Fullerenes; Humans; Ibuprofen; Inflammation; Metals; Models, Molecular; Nanostructures; Porphyrins; Static Electricityen_US
dc.description.abstractToday, drug delivery systems based on nanostructures have become the most efficient to be studied. Recent studies revealed that the fullerenes can be used as drug carriers and transport drugs in a target cell. The aim of the present work is to study the interaction of C60 fullerene containing porphyrin-like transition metal-N4 clusters (TMN4C55, TM = Fe, Co, and Ni) with a non-steroidal anti-inflammatory drug (ibuprofen (Ibp)) by employing the method of the density functional theory. Results showed that the C60 fullerene with TMN4 clusters could significantly enhance the tendency of C60 for adsorption of ibuprofen drug. Also, our ultraviolet-visible results show that the electronic spectra of Ibp/TMN4C55 complexes exhibit a blue shift toward lower wavelengths (higher energies). It was found that the NiN4C55 fullerene had high chemical reactivity, which was important for binding of the drug onto the carrier surface. In order to gain insight into the binding features of Ibp/TMN4C55 complexes, the atoms in molecules analysis was also performed. Our results exhibit the electrostatic features of the Ibp/TMN4C55 bonding. Consequently, this study demonstrated that the TMN4C55 fullerenes could be used as potential carriers for delivery of Ibp drug in the nanomedicine domain. [Figure not available: see fulltext.]. � 2019, Springer-Verlag GmbH Germany, part of Springer Nature.en_US
dc.description.natureFinalen_US
dc.identifier.ArtNo7
dc.identifier.doi10.1007/s00894-019-4267-1
dc.identifier.issue1
dc.identifier.scopus2-s2.0-85076478714
dc.identifier.urihttps://www.scopus.com/inward/record.uri?eid=2-s2.0-85076478714&doi=10.1007%2fs00894-019-4267-1&partnerID=40&md5=a67b94a11536a8288a12cf7575e88f13
dc.identifier.urihttps://irepository.uniten.edu.my/handle/123456789/25832
dc.identifier.volume26
dc.publisherSpringeren_US
dc.sourceScopus
dc.sourcetitleJournal of Molecular Modeling
dc.titleFullerene C60 containing porphyrin-like metal center as drug delivery system for ibuprofen drugen_US
dc.typeArticleen_US
dspace.entity.typePublication
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