Preprint Article Version 1 Preserved in Portico This version is not peer-reviewed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

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