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https://doi.org/10.21256/zhaw-19486| Publikationstyp: | Beitrag in wissenschaftlicher Zeitschrift |
| Art der Begutachtung: | Peer review (Publikation) |
| Titel: | High consistency of structure-based design and x-ray crystallography : design, synthesis, kinetic evaluation and crystallographic binding mode determination of biphenyl-N-acyl-β-D-glucopyranosylamines as glycogen phosphorylase inhibitors |
| Autor/-in: | Fischer, Thomas Koulas, Symeon M. Tsagkarakou, Anastasia S. Kyriakis, Efthimios Stravodimos, George A. Skamnaki, Vassiliki T. Liggri, Panagiota G.V. Zographos, Spyros E. Riedl, Rainer Leonidas, Demetres D. |
| et. al: | No |
| DOI: | 10.3390/molecules24071322 10.21256/zhaw-19486 |
| Erschienen in: | Molecules |
| Band(Heft): | 24 |
| Heft: | 7 |
| Seite(n): | 1322 |
| Erscheinungsdatum: | 2019 |
| Verlag / Hrsg. Institution: | MDPI |
| ISSN: | 1420-3049 1433-1373 |
| Sprache: | Englisch |
| Schlagwörter: | N-acyl-β-d-glucopyranosylamine; X-ray crystallography; Glycogen metabolism; Glycogen phosphorylase inhibitor; Structure-based design; Type 2 diabetes; Binding Site; Catalytic domain; Synthetic chemistry technique; Drug design; Enzyme inhibitor; Glucosamine; Glycogen phosphorylase; Human; Hydrogen bonding; Molecular model; Protein binding; Quantitative structure-activity relationship |
| Fachgebiet (DDC): | 540: Chemie |
| Zusammenfassung: | Structure-based design and synthesis of two biphenyl-N-acyl-β-d-glucopyranosylamine derivatives as well as their assessment as inhibitors of human liver glycogen phosphorylase (hlGPa, a pharmaceutical target for type 2 diabetes) is presented. X-ray crystallography revealed the importance of structural water molecules and that the inhibitory efficacy correlates with the degree of disturbance caused by the inhibitor binding to a loop crucial for the catalytic mechanism. The in silico-derived models of the binding mode generated during the design process corresponded very well with the crystallographic data. |
| URI: | https://digitalcollection.zhaw.ch/handle/11475/19486 |
| Volltext Version: | Publizierte Version |
| Lizenz (gemäss Verlagsvertrag): | CC BY 4.0: Namensnennung 4.0 International |
| Departement: | Life Sciences und Facility Management |
| Enthalten in den Sammlungen: | Publikationen Life Sciences und Facility Management |
Dateien zu dieser Ressource:
| Datei | Beschreibung | Größe | Format | |
|---|---|---|---|---|
| 2019_Fischer_high-consistency.pdf | 5.88 MB | Adobe PDF |  Öffnen/Anzeigen |
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Fischer, T., Koulas, S. M., Tsagkarakou, A. S., Kyriakis, E., Stravodimos, G. A., Skamnaki, V. T., Liggri, P. G. V., Zographos, S. E., Riedl, R., & Leonidas, D. D. (2019). High consistency of structure-based design and x-ray crystallography : design, synthesis, kinetic evaluation and crystallographic binding mode determination of biphenyl-N-acyl-β-D-glucopyranosylamines as glycogen phosphorylase inhibitors. Molecules, 24(7), 1322. https://doi.org/10.3390/molecules24071322
Fischer, T. et al. (2019) ‘High consistency of structure-based design and x-ray crystallography : design, synthesis, kinetic evaluation and crystallographic binding mode determination of biphenyl-N-acyl-β-D-glucopyranosylamines as glycogen phosphorylase inhibitors’, Molecules, 24(7), p. 1322. Available at: https://doi.org/10.3390/molecules24071322.
T. Fischer et al., “High consistency of structure-based design and x-ray crystallography : design, synthesis, kinetic evaluation and crystallographic binding mode determination of biphenyl-N-acyl-β-D-glucopyranosylamines as glycogen phosphorylase inhibitors,” Molecules, vol. 24, no. 7, p. 1322, 2019, doi: 10.3390/molecules24071322.
FISCHER, Thomas, Symeon M. KOULAS, Anastasia S. TSAGKARAKOU, Efthimios KYRIAKIS, George A. STRAVODIMOS, Vassiliki T. SKAMNAKI, Panagiota G.V. LIGGRI, Spyros E. ZOGRAPHOS, Rainer RIEDL und Demetres D. LEONIDAS, 2019. High consistency of structure-based design and x-ray crystallography : design, synthesis, kinetic evaluation and crystallographic binding mode determination of biphenyl-N-acyl-β-D-glucopyranosylamines as glycogen phosphorylase inhibitors. Molecules. 2019. Bd. 24, Nr. 7, S. 1322. DOI 10.3390/molecules24071322
Fischer, Thomas, Symeon M. Koulas, Anastasia S. Tsagkarakou, Efthimios Kyriakis, George A. Stravodimos, Vassiliki T. Skamnaki, Panagiota G.V. Liggri, Spyros E. Zographos, Rainer Riedl, and Demetres D. Leonidas. 2019. “High Consistency of Structure-Based Design and X-Ray Crystallography : Design, Synthesis, Kinetic Evaluation and Crystallographic Binding Mode Determination of Biphenyl-N-Acyl-β-D-Glucopyranosylamines as Glycogen Phosphorylase Inhibitors.” Molecules 24 (7): 1322. https://doi.org/10.3390/molecules24071322.
Fischer, Thomas, et al. “High Consistency of Structure-Based Design and X-Ray Crystallography : Design, Synthesis, Kinetic Evaluation and Crystallographic Binding Mode Determination of Biphenyl-N-Acyl-β-D-Glucopyranosylamines as Glycogen Phosphorylase Inhibitors.” Molecules, vol. 24, no. 7, 2019, p. 1322, https://doi.org/10.3390/molecules24071322.
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