Molecular Simulation Study on Bentysrepinine Metabolites Improving Binding Affinity of HBV DNA Polymerase / 中草药·英文版
Chinese Herbal Medicines
; (4): 139-142, 2016.
Article
en Zh
| WPRIM
| ID: wpr-842231
Biblioteca responsable:
WPRO
ABSTRACT
Objective: To study the effect of bentysrepinine (Y101) metabolites on improving binding affinity of HBV DNA polymerase. Methods: The binding mode of Y101 and its metabolites with DNA polymerase has been driven by hydrophobic interaction. Results: Two compounds, T2 and T4, exhibited the improvement of the binding affinity to HBV DNA polymerase protein, which suggests that the inhibitory activity against HBV DNA polymerase protein can be enhanced. Conclusion: The variant docking poses of T2 and T4 might imply the novel recognition of inhibitory effects of T2 and T4, in comparison with Y101.
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Base de datos:
WPRIM
Idioma:
Zh
Revista:
Chinese Herbal Medicines
Año:
2016
Tipo del documento:
Article