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In silico approach reveals N-(5-phenoxythiophen-2-yl)-2-(arylthio)acetamides as promising selective SIRT2 inhibitors: the case of structural optimization of virtual screening-derived hits.
J Biomol Struct Dyn. 2023 Dec 19:1-12. doi: 10.1080/07391102.2023.2293252. Online ahead of print.
J Biomol Struct Dyn. 2023.
PMID: 38112299
Hit evaluation results in 5-benzyl-1,3,4-thiadiazole-2-carboxamide based SIRT2-selective inhibitor with improved affinity and selectivity.
Gozelle M, Kaya SG, Aksel AB, Ozkan E, Bakar-Ates F, Ozkan Y, Eren G.
Gozelle M, et al.
Bioorg Chem. 2022 Jun;123:105746. doi: 10.1016/j.bioorg.2022.105746. Epub 2022 Mar 26.
Bioorg Chem. 2022.
PMID: 35358824
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Hit-to-lead optimization on aryloxybenzamide derivative virtual screening hit against SIRT.
Yagci S, Gozelle M, Kaya SG, Ozkan Y, Aksel AB, Bakar-Ates F, Dundar Y, Eren G.
Yagci S, et al. Among authors: gozelle m.
Bioorg Med Chem. 2021 Jan 15;30:115961. doi: 10.1016/j.bmc.2020.115961. Epub 2020 Dec 25.
Bioorg Med Chem. 2021.
PMID: 33360574
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Pharmacophore modeling and virtual screening studies to identify novel selective SIRT2 inhibitors.
Eren G, Bruno A, Guntekin-Ergun S, Cetin-Atalay R, Ozgencil F, Ozkan Y, Gozelle M, Kaya SG, Costantino G.
Eren G, et al. Among authors: gozelle m.
J Mol Graph Model. 2019 Jun;89:60-73. doi: 10.1016/j.jmgm.2019.02.014. Epub 2019 Mar 5.
J Mol Graph Model. 2019.
PMID: 30870650
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Structure-based exploration and pharmacological evaluation of N-substituted piperidin-4-yl-methanamine CXCR4 chemokine receptor antagonists.
Adlere I, Sun S, Zarca A, Roumen L, Gozelle M, Viciano CP, Caspar B, Arimont M, Bebelman JP, Briddon SJ, Hoffmann C, Hill SJ, Smit MJ, Vischer HF, Wijtmans M, de Graaf C, de Esch IJP, Leurs R.
Adlere I, et al. Among authors: gozelle m.
Eur J Med Chem. 2019 Jan 15;162:631-649. doi: 10.1016/j.ejmech.2018.10.060. Epub 2018 Oct 30.
Eur J Med Chem. 2019.
PMID: 30476826
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