Cytotoxic effect, spectroscopy, DFT, enzyme inhibition, and moleculer docking studies of some novel mesitylaminopropanols: antidiabetic and anticholinergics and anticancer potentials

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dc.authoridParham Taslimi / 0000-0002-3171-0633en_US
dc.authorscopusidParham Taslimi / 56658628800en_US
dc.authorwosidParham Taslimi / AAL-2788-2020
dc.contributor.authorKhalilov, Ali N.
dc.contributor.authorTüzün, Burak
dc.contributor.authorTaslimi, Parham
dc.contributor.authorTaş, Ayça
dc.contributor.authorTunçbilek, Zuhal
dc.contributor.authorÇakmak, Neşe Keklikçioğlu
dc.date.accessioned2021-10-25T11:55:11Z
dc.date.available2021-10-25T11:55:11Z
dc.date.issued2021en_US
dc.departmentİstinye Üniversitesien_US
dc.description.abstract?-Amino alcohols (2–4) used in this study were re-synthesized in accordance with our previous study. All compounds were characterized by the combination of NMR, UV–Vis, IR experimental and theoretical spectral data. Then, the cytotoxic activity studies of the molecules on SH-SY5Y and L-929 cell lines showed that compound 2 has the highest activity on SH-SY5Y cells. Afterwards, the inhibition properties of these derivatives were tested toward acetylcholinesterase (AChE) and ?-Glycosidase (?-Gly) enzymes. The studied molecules were optimized on B3LYP, HF, M062X level 3–21 g, 6–31 g, and SDD basis sets. Molecular docking calculations were made to determine the biological activity values of the amino alcohols against the enzymes. Finally, the drug properties of molecules were investigated by ADME/T analysis. © 2021 Elsevier B.V.en_US
dc.identifier.citationKhalilov, A. N., Tüzün, B., Taslimi, P., Tas, A., Tuncbilek, Z., & Cakmak, N. K. (2021). Cytotoxic effect, spectroscopy, DFT, enzyme inhibition, and moleculer docking studies of some novel mesitylaminopropanols: Antidiabetic and anticholinergics and anticancer potentials. Journal of Molecular Liquids, 344. https://doi.org/10.1016/j.molliq.2021.117761en_US
dc.identifier.doi10.1016/j.molliq.2021.117761en_US
dc.identifier.endpage13en_US
dc.identifier.issn0167-7322en_US
dc.identifier.scopus2-s2.0-85117125944en_US
dc.identifier.scopusqualityQ1en_US
dc.identifier.startpage1en_US
dc.identifier.urihttps://doi.org/10.1016/j.molliq.2021.117761
dc.identifier.urihttps://hdl.handle.net/20.500.12713/2170
dc.identifier.volume344en_US
dc.identifier.wosWOS:000708714300056en_US
dc.identifier.wosqualityQ1en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.institutionauthorTaslimi, Parham
dc.language.isoenen_US
dc.publisherElsevieren_US
dc.relation.ispartofJournal of Molecular Liquidsen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectCell Cultureen_US
dc.subjectDFTen_US
dc.subjectEnzymeen_US
dc.subjectMolecular Dockingen_US
dc.subjectMTTen_US
dc.subjectβ-Amino Alcoholsen_US
dc.titleCytotoxic effect, spectroscopy, DFT, enzyme inhibition, and moleculer docking studies of some novel mesitylaminopropanols: antidiabetic and anticholinergics and anticancer potentialsen_US
dc.typeArticleen_US

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