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():
In silico Molecular Docking Study of Repensine and Bentysrepinine against HBV DNA Polymerase
  
DOI:
中文关键词:  
英文关键词:bentysrepinine  hepatitis B virus  molecular docking  polymerase  repesnine
基金项目:
Author NameAffiliation
Fan-cui Meng 1.?? Center for Drug Discovery, Tianjin Institute of Pharmaceutical Research, Tianjin 300193, China 
Wei-ren Xu 1.?? Center for Drug Discovery, Tianjin Institute of Pharmaceutical Research, Tianjin 300193, China 
Ya-zhuo Li 2.? Center for Drug Safety and Evaluation, Tianjin Institute of Pharmaceutical Research, Tianjin 300193, China
3. State Key Laboratory of Drug Delivery Technology and Pharmacokinetics, Tianjin 300193, China 
Zheng-ming Huang 4.? The Military No.302 Hospital, Beijing 100071, China 
Guang-yi Liang 5.? Key Laboratory of Natural Product Chemistry of Chinese Academy of Science, Guiyang 550002, China 
Chang-xiao Liu 2. Center for Drug Safety and Evaluation, Tianjin Institute of Pharmaceutical Research, Tianjin 300193, China
3. State Key Laboratory of Drug Delivery Technology and Pharmacokinetics, Tianjin 300193, China 
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中文摘要:
      
英文摘要:
      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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