Exploring smart drug delivery platforms through the adsorption of chlormethine anticancer by an iron-enhanced metallofullerene

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dc.authoridhttps://orcid.org/0000-0001-9346-4901en_US
dc.authorscopusid13204227300en_US
dc.authorwosidL-1534-2017en_US
dc.contributor.authorSaadh, M.J.
dc.contributor.authorDhiaa, S.M.
dc.contributor.authorHussein, A.H.A.
dc.contributor.authorKarim, M.M.
dc.contributor.authorIdan, A.H.
dc.contributor.authorMirzaei, M.
dc.contributor.authorMosaddad, S.A.
dc.contributor.authorSalem-Bekhit, M.M.
dc.date.accessioned2024-08-27T11:34:55Z
dc.date.available2024-08-27T11:34:55Z
dc.date.issued2024en_US
dc.departmentFakülteler, Mühendislik Fakültesi, Mühendislik Temel Bilimleri Bölümüen_US
dc.description.abstractRepresentative iron-enhanced metallofullerenes including FeC24, FeC23, and FeC22 models were assessed for the adsorption of chlormethine (CMT) anticancer towards the development of smart drug delivery platforms. To this aim, density functional theory (DFT) calculations were performed to examine the structural and electronic features of models in the singular and conjugated states. Formations of CMT@FeC24, CMT@FeC23, and CMT@FeC22 conjugated complex systems were achieved by a major role of iron-enhanced region for making successful communications with the CMT substance. Two configurations were found for each conjugated complex system by the CMT relaxation at the metallofullerenes with meaningful results for adsorbing, retaining, and releasing processes of the adsorbed drug. The results of electronic features showed possibility of conducting a sensing function for the metallofullerenes during the adsorption of CMT substance. Consequently, the investigated conjugated complex systems were proposed towards the development of smart drug delivery platforms especially by the formation of CMT@FeC22 system.en_US
dc.identifier.citationM.J. Saadh, S.M. Dhiaa, A.H.A. Hussein, M.M. Karim, A.H. Idan, M. Mirzaei, S.A. Mosaddad, M.M. Salem-Bekhit, (2024). Exploring smart drug delivery platforms through the adsorption of chlormethine anticancer by an iron-enhanced metallofullerene, Journal of the Indian Chemical Society,101 (10). Erişim adresi: https://doi.org/10.1016/j.jics.2024.101294en_US
dc.identifier.doi10.1016/j.jics.2024.101294en_US
dc.identifier.endpage8en_US
dc.identifier.issn0019-4522
dc.identifier.issue10en_US
dc.identifier.scopus2-s2.0-85200148503en_US
dc.identifier.startpage1en_US
dc.identifier.urihttps://doi.org/10.1016/j.jics.2024.101294
dc.identifier.urihttps://hdl.handle.net/20.500.13099/371
dc.identifier.volume101en_US
dc.identifier.wos001288767600001en_US
dc.identifier.wosqualityQ2en_US
dc.institutionauthorMirzaei, Mahmoud
dc.language.isoengen_US
dc.publisherElsevieren_US
dc.relation.ispartofJournal of the Indian Chemical Societyen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectAnticancer drug deliveryen_US
dc.subjectFullereneen_US
dc.subjectIron dopingen_US
dc.subjectSensing functionen_US
dc.subjectStructural analysisen_US
dc.subjectchlormethineen_US
dc.subjectfullereneen_US
dc.subjectironen_US
dc.subjectArticleen_US
dc.subjectcancer inhibitionen_US
dc.subjectdensity functional theoryen_US
dc.subjectdrug adsorptionen_US
dc.subjectdrug delivery systemen_US
dc.titleExploring smart drug delivery platforms through the adsorption of chlormethine anticancer by an iron-enhanced metallofullereneen_US
dc.typearticleen_US

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