Identification of bichalcones as sirtuin inhibitors by virtual screening and in vitro testing
Abstract: Sirtuins are nicotinamide adenine dinucleotide (NAD+)-dependent class III histone deacetylases, which have been linked to the pathogenesis of numerous diseases, including HIV, metabolic disorders, neurodegeneration and cancer. Docking of the virtual pan-African natural products library (p-ANAPL), followed by in vitro testing, resulted in the identification of two inhibitors of sirtuin 1, 2 and 3 (sirt1–3). Two bichalcones, known as rhuschalcone IV and an analogue of rhuschalcone I , previously isolated from the medicinal plant Rhus pyroides, were shown to be active in the in vitro assay. The rhuschalcone I analogue showed the best activity against sirt1, with an IC50 value of 40.8 µM. Based on the docking experiments, suggestions for improving the biological activities of the newly identified hit compounds have been provided
- Location
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Deutsche Nationalbibliothek Frankfurt am Main
- Extent
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Online-Ressource
- Language
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Englisch
- Notes
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Molecules. 23, 2 (2018), article no. 416, DOI 10.3390/molecules23020416, issn: 1420-3049
- Keyword
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Hydrogenchalkogenate
- Event
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Veröffentlichung
- (where)
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Freiburg
- (who)
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Universität
- (when)
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2018
- Creator
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Karaman, Berin
Alhalabi, Zayan
Swyter, Sören
Mihigo, Shetonde O.
Andrae-Marobela, Kerstin
Jung, Manfred
Sippl, Wolfgang
Ntie-Kang, Fidele
- Contributor
- DOI
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10.3390/molecules23020416
- URN
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urn:nbn:de:bsz:25-freidok-151393
- Rights
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Kein Open Access; Der Zugriff auf das Objekt ist unbeschränkt möglich.
- Last update
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14.08.2025, 11:02 AM CEST
Data provider
This object is provided by:
Deutsche Nationalbibliothek. If you have any questions about the object, please contact the data provider.
Deutsche Nationalbibliothek. If you have any questions about the object, please contact the data provider.
Associated
- Karaman, Berin
- Alhalabi, Zayan
- Swyter, Sören
- Mihigo, Shetonde O.
- Andrae-Marobela, Kerstin
- Jung, Manfred
- Sippl, Wolfgang
- Ntie-Kang, Fidele
- Albert-Ludwigs-Universität Freiburg. Institut für Pharmazeutische Wissenschaften
- Albert-Ludwigs-Universität Freiburg
- Universität
Time of origin
- 2018
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Virtual screening and molecular modeling studies applied to discover novel sirtuin modulators and cholinesterase inhibitors : [kumulative Dissertation]
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Design, Synthese und Charakterisierung neuer Sirtuin Inhibitoren
Synthese und Untersuchung von peptidischen Substraten der Histondeacetylasen
Molecular Modelling Untersuchungen zum Bindungsverhalten von Histamin H2- und H3-Rezeptor-Liganden
Epigenetic drug discovery
Proteolysis targeting chimeras (PROTACs) for epigenetics research
Klinische Erfahrungen mit N1-n-Butylbiguanid in der Behandlung des Diabetes mellitus
Compton-Effekt am Proton im Bereich der ersten Resonanz : (Messung differentieller Wirkungsquerschnitte)
HaloTag‐Targeted Sirtuin‐Rearranging Ligand (SirReal) for the Development of Proteolysis‐Targeting Chimeras (PROTACs) against the Lysine Deacetylase Sirtuin 2 (Sirt2) **
Virtual screening and molecular modeling studies applied to discover novel sirtuin modulators and cholinesterase inhibitors : [kumulative Dissertation]
Epigenetic targets in drug discovery
HaloTag‐targeted sirtuin‐rearranging ligand (SirReal) for the development of proteolysis‐targeting chimeras (PROTACs) against the lysine deacetylase sirtuin 2 (Sirt2)
Carbamates as potential prodrugs and a new warhead for HDAC inhibition
Design, Synthese und Charakterisierung neuer Sirtuin Inhibitoren
Synthese und Untersuchung von peptidischen Substraten der Histondeacetylasen
Molecular Modelling Untersuchungen zum Bindungsverhalten von Histamin H2- und H3-Rezeptor-Liganden
Epigenetic drug discovery
Proteolysis targeting chimeras (PROTACs) for epigenetics research
Klinische Erfahrungen mit N1-n-Butylbiguanid in der Behandlung des Diabetes mellitus
Compton-Effekt am Proton im Bereich der ersten Resonanz : (Messung differentieller Wirkungsquerschnitte)
HaloTag‐Targeted Sirtuin‐Rearranging Ligand (SirReal) for the Development of Proteolysis‐Targeting Chimeras (PROTACs) against the Lysine Deacetylase Sirtuin 2 (Sirt2) **
Virtual screening and molecular modeling studies applied to discover novel sirtuin modulators and cholinesterase inhibitors : [kumulative Dissertation]
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