Preprint Article Version 1 Preserved in Portico This version is not peer-reviewed

Identification of Bichalcones as Sirtuin Inhibitors by Virtual Screening and in Vitro Testing

Berin Karaman
,
Zayan Alhalabi
ORCID logo ,
Sören Swyter
,
Shetonde O. Mihigo
,
Kerstin Andrae-Marobela
,
Manfred Jung
ORCID logo ,
Wolfgang Sippl
ORCID logo ,
Fidele Ntie-Kang
* ORCID logo
Version 1 : Received: 23 January 2018 / Approved: 23 January 2018 / Online: 23 January 2018 (09:12:43 CET)

How to cite: Karaman, B.; Alhalabi, Z.; Swyter, S.; Mihigo, S.O.; Andrae-Marobela, K.; Jung, M.; Sippl, W.; Ntie-Kang, F. Identification of Bichalcones as Sirtuin Inhibitors by Virtual Screening and in Vitro Testing. Preprints 2018, 2018010213. https://doi.org/10.20944/preprints201801.0213.v1 Karaman, B.; Alhalabi, Z.; Swyter, S.; Mihigo, S.O.; Andrae-Marobela, K.; Jung, M.; Sippl, W.; Ntie-Kang, F. Identification of Bichalcones as Sirtuin Inhibitors by Virtual Screening and in Vitro Testing. Preprints 2018, 2018010213. https://doi.org/10.20944/preprints201801.0213.v1

Abstract

Sirtuins are nicotinamide adenine dinucleotide (NAD+)-dependent class III histone deacetylases and have been linked to the pathogenesis of numerous diseases such as 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; rhuschalcone IV (8) and rhuschalcone I (9), previously isolated from the medicinal plant Rhus pyroides, were shown to be active in the in vitro assay, with rhuschalcone I showing the best activity against sirt1, having an IC50 = 40.8 µM. Based on the docking experiments, suggestions for improving the biological activities of the newly identified hit compounds have been provided.

Keywords

bichalcones; sirtuin inhibitors; virtual screening

Subject

Chemistry and Materials Science, Analytical Chemistry

Copyright: This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Download PDF Download Supplementary

Comments (0)

We encourage comments and feedback from a broad range of readers. See criteria for comments and our Diversity statement.

Leave a public comment
Send a private comment to the author(s)
* All users must log in before leaving a comment
Views 0
Downloads 0
Comments 0
Metrics 0
Get PDF Supplementary Files Cite Share 0
Bookmark BibSonomy Mendeley Reddit Delicious
×
Alerts
Notify me about updates to this article or when a peer-reviewed version is published.
We use cookies on our website to ensure you get the best experience.
Read more about our cookies here.