Novel tetrakis-phthalocyanines bearing pyrimidine derivative: crystal XRD analysis, enzyme inhibition, molecular docking, and anticancer effects

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dc.authoridParham Taslimi / 0000-0002-3171-0633en_US
dc.authorscopusidParham Taslimi / 56658628800
dc.authorwosidParham Taslimi / AAL-2788-2020
dc.contributor.authorGünsel, Armağan
dc.contributor.authorYazar, Bilge
dc.contributor.authorTaslimi, Parham
dc.contributor.authorErden, Yavuz
dc.contributor.authorTaşkın-Tok, Tuğba
dc.contributor.authorPişkin, Hasan
dc.date.accessioned2021-11-26T10:43:17Z
dc.date.available2021-11-26T10:43:17Z
dc.date.issued2021en_US
dc.departmentİstinye Üniversitesien_US
dc.description.abstractIn this study, the novel 4-(4-Aminopyrimidin-2-ylthio) phthalonitrile (1) as starting material was synthesized and its 3D structure was verified by the single crystal X-ray diffraction experiment. Then, its peripherally tetra-substituted phthalocyanines (2,3) and the methylated derivatives (2a,3a) containing pyrimidine derivative were synthesized. All these newly synthesized compounds were characterized with various spectroscopic methods such as UV-Vis, FT-IR, 1H-NMR, 13C-NMR and MALDI-TOF MS by obtaining satisfactory results. In addition, these novel phthalocyanines effectively inhibited acetylcholinesterase enzyme, with Ki values in the range of 10.43 ± 2.38 to 41.70 ± 9.32 µM. For the related enzyme, the IC50 values were obtained in the range of 11.68 to 44.28 µM. For ?-glycosidase enzyme the most effective Ki values of (3a) and (2) were with Ki values of 92.87 ± 10.70 and 95.18 ± 17.83 µM, respectively. Indeed, the most potent phthalocyanines against both enzymes were recorded for the purpose of investigating interaction modes of these complexes in the active site of the target enzyme. The cytotoxicity potential of these phthalocyanines against human breast, colon, and prostate cancers demonstrated that these compounds had normal cytotoxic effects.Communicated by Ramaswamy H. Sarma.en_US
dc.identifier.citationGünsel, A., Yazar, B., Taslimi, P., Erden, Y., Taskin-Tok, T., Pişkin, H., Bilgiçli, A. T., Yarasir, M. N., & Gülçin, İ. (2021). Novel tetrakis-phthalocyanines bearing pyrimidine derivative: crystal XRD analysis, enzyme inhibition, molecular docking, and anticancer effects. Journal of biomolecular structure & dynamics, 1–14. Advance online publication.en_US
dc.identifier.doi10.1080/07391102.2021.2004923en_US
dc.identifier.pmid34806542en_US
dc.identifier.scopus2-s2.0-85119619635en_US
dc.identifier.scopusqualityN/Aen_US
dc.identifier.urihttps://doi.org/10.1080/07391102.2021.2004923
dc.identifier.urihttps://hdl.handle.net/20.500.12713/2282
dc.identifier.wosWOS:000721173300001en_US
dc.identifier.wosqualityQ2en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.indekslendigikaynakPubMeden_US
dc.institutionauthorTaslimi, Parham
dc.language.isoenen_US
dc.publisherTaylor & Francis Onlineen_US
dc.relation.ispartofJournal of Biomolecular Structure and Dynamicsen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectPhthalocyanineen_US
dc.subjectCrystalen_US
dc.subjectCytotoxicityen_US
dc.subjectEnzyme Inhibitionen_US
dc.subjectMolecular Dockingen_US
dc.titleNovel tetrakis-phthalocyanines bearing pyrimidine derivative: crystal XRD analysis, enzyme inhibition, molecular docking, and anticancer effectsen_US
dc.typeArticleen_US

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