In Silico Molecular Docking Study of Repensine and Bentysrepinine against HBV DNA Polymerase
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摘要:
Abstract:
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 Y101 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.
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National Natural Science Foundation of China (21103125)
Fan-cui Meng, Wei-ren Xu, Ya-zhuo Li, Zheng-ming Huang, Guang-yi Liang, Chang-xiao Liu. In Silico Molecular Docking Study of Repensine and Bentysrepinine against HBV DNA Polymerase[J]. Chinese Herbal Medicines (CHM),2015,7(1):39-44
