Medizinische Universität Graz Austria/Österreich - Forschungsportal - Medical University of Graz
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SHR Neuro Krebs Kardio Lipid Stoffw Microb
De León, G; Fröhlich, E; Salar-Behzadi, S.
Bitter taste in silico: A review on virtual ligand screening and characterization methods for TAS2R-bitterant interactions.
Int J Pharm. 2021; 600: 120486-120486.
Doi: 10.1016/j.ijpharm.2021.120486
Web of Science
PubMed
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FullText_MUG
- Co-Autor*innen der Med Uni Graz
- Fröhlich Eleonore
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- Abstract:
- The growing pharmaceutical interest in the human bitter taste receptors (hTAS2Rs) has two dimensions; i) evaluation of the bitterness of active pharmaceutical compounds, in order to develop strategies for improving patients' adherence to medication, and ii) application of ligands for extra-cellular hTAS2Rs for potential preventive therapeutic achievements. The result is an increasing demand on robust tools for bitterness assessment and screening the receptor-ligand affinity. In silico tools are useful for aiding experimental-screening, as well as to elucide ligand-receptor interactions. In this review, the ligand-based and structure-based approaches are described as the two main in silico tools for bitter taste analysis. The strengths and weaknesses of each approach are discussed. Both approaches provide key tools for understanding and exploiting bitter taste for human health applications. Copyright © 2021 Elsevier B.V. All rights reserved.
- Find related publications in this database (Keywords)
- Bitterness evaluation
- Bitter taste receptors
- Extra-cellular receptors
- In silico tool
- Ligand-based
- Structure-based