In Silico Molecular Docking Study of Repensine and Bentysrepinine against HBV DNA Polymerase

Bentysrepinine （Y101 ）, a derivative of repensine, is a novel di-peptide structure isolated from Dichondra repens. In vitro and in vivo tests exhibited that bentysrepinine markedly inhibited DNA-HBV and cccDNA activities. The binding mode of Y101 and repensine with DNA polymerase was driven by hydro...

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Bibliographic Details
Published in:Chinese herbal medicines 2015-02, Vol.7 (1), p.39-44
Main Authors: Meng, Fan-cui, Xu, Wei-ren, Li, Ya-zhuo, Huang, Zheng-ming, Liang, Guang-yi, Liu, Chang-xiao
Format: Article
Language:English
Subjects:
bentysrepinine
DNA聚合酶
HBV
hepatitis B virus
molecular docking
polymerase
repesnine
体内试验
对接
抑制作用
生物测定法
疏水相互作用
酶分子
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Summary:Bentysrepinine （Y101 ）, a derivative of repensine, is a novel di-peptide structure isolated from Dichondra repens. In vitro and in vivo tests exhibited that bentysrepinine markedly inhibited DNA-HBV and cccDNA activities. The binding mode of Y101 and repensine with DNA polymerase was driven by hydrophobic interactions. This might provide novel recognition of inhibitory effect of Y1 01 against HBV, though its inhibition mechanism needs to be validated by bio-assay at cellular level and of polymerase activity. Preliminary docking study suggested that Y101 might be able to inhibit HIV inverse transcriptase, also have the potential to interact with DNA polymerase and HCV NS5B polymerase.
ISSN:1674-6384
2589-3610
DOI:10.1016/S1674-6384(15)60018-1