Multi-targeted anti-leukemic drug design with the incorporation of silicon into Nelarabine: How silicon increases bioactivity

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dc.contributor.authorEryilmaz, Esma
dc.date.accessioned2020-03-26T20:15:20Z
dc.date.available2020-03-26T20:15:20Z
dc.date.issued2019
dc.departmentSelçuk Üniversitesi, Teknoloji Fakültesi, Biyomedikal Mühendisliği Bölümüen_US
dc.description.abstractAcute Lymphoblastic Leukemia (ALL) represents 30% of all childhood cancers and children younger than 5 years old have the highest risk for developing ALL. Existing ALL drugs do not respond in approximately 20% of treatment. Therefore, drug development studies against ALL must be continued with either developing existing drugs or discovering new ones. In this study, we evaluated the U.S Food and Drug Administration (FDA) approved ALL drugs according to their physicochemical and pharmaceutical properties, and Nelarabine was found to have the highest bioactivity score. Using the key strategy of bioisosterism commonly accepted by medicinal chemists, we investigated in silico ADME properties, drug-likeness, and biological activity of new designed twenty-four compounds including Nelarabine. The results were evaluated in terms of two classifications: broad spectrum biological activity and filtering of five different drug likeness criteria of the literature including Lipinski's rule of five. We interestingly observed that silicon incorporated compounds exhibited better performance on both criteria by targeting broader spectrum of drug receptors including G-protein coupled receptor (GPCR), ion channel modulator, kinase inhibitor, protease and enzyme inhibitor and by satisfying all of five different drug-likeness criteria reported in the literature. Design compound C19 appeared as a potential drug candidate for further pharmacological research.en_US
dc.description.sponsorshipScientific and Technological Research Council of Turkey, TUBITAKTurkiye Bilimsel ve Teknolojik Arastirma Kurumu (TUBITAK) [217Z299]en_US
dc.description.sponsorshipThis work was supported by the Scientific and Technological Research Council of Turkey, TUBITAK [grant no: 217Z299, 2018]. The author would like to thank Dr. Mustafa Guzel from Istanbul Medipol University for valuable discussion and their suggestion regarding bioisosteric groups.en_US
dc.identifier.citationEryilmaz, E. (2019). Multi-Targeted Anti-Leukemic Drug Design With The İncorporation Of Silicon İnto Nelarabine: How Silicon İncreases Bioactivity. European Journal Of Pharmaceutical Sciences, 134, 266-273.
dc.identifier.doi10.1016/j.ejps.2019.04.008en_US
dc.identifier.endpage273en_US
dc.identifier.issn0928-0987en_US
dc.identifier.issn1879-0720en_US
dc.identifier.pmid31028821en_US
dc.identifier.scopusqualityQ1en_US
dc.identifier.startpage266en_US
dc.identifier.urihttps://dx.doi.org/10.1016/j.ejps.2019.04.008
dc.identifier.urihttps://hdl.handle.net/20.500.12395/38019
dc.identifier.volume134en_US
dc.identifier.wosWOS:000468081200022en_US
dc.identifier.wosqualityQ2en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.indekslendigikaynakPubMeden_US
dc.institutionauthorEryilmaz, Esma
dc.language.isoenen_US
dc.publisherELSEVIERen_US
dc.relation.ispartofEUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCESen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.selcuk20240510_oaigen_US
dc.subjectPharmacokineticen_US
dc.subjectADMEen_US
dc.subjectIn silicoen_US
dc.subjectAnti-leukemiaen_US
dc.subjectSiliconen_US
dc.subjectDrug-likenessen_US
dc.titleMulti-targeted anti-leukemic drug design with the incorporation of silicon into Nelarabine: How silicon increases bioactivityen_US
dc.typeArticleen_US

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