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

Berin KaramanZayan AlhalabiSören SwyterShetonde O. MihigoKerstin Andrae-MarobelaManfred JungWolfgang SipplFidele Ntie-Kang

出版	Universität, 2018
URL	http://books.google.com.hk/books?id=pc7ptwEACAAJ&hl=&source=gbs_api

註釋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