Bioactive Compounds Screening from Zingiberaceae Family as Influenza A/Swine Flu Virus Neuraminidase Inhibitor through Docking Approach | Science Publications

OnLine Journal of Biological Sciences

Arli A. Parikesit¹  Usman S.F. Tambunan¹  Fadilah¹ 

关键词: Neuraminidase inhibitory;    molecular docking;    influenza A/H1N1;    bioactive compounds;    neuraminidase inhibitor;    initial screening process;    screen bioactive;    subtropical countries;    catalytic site;    hydrogen bond;    conducted docking study;    β-D-glucopyranosyl-4- allylbenzene (BGA);    surface glycoprotein;   

DOI  :  10.3844/ojbsci.2010.151.156

学科分类：生物科学（综合）

来源: Science Publications

【 摘 要 】

Problem statement: Influenza A/H1N1 is a disease caused by infection of influenza a virussubtype H1N1. It is a major health problem in tropical and subtropical countries. This virus constantlymutates and consequently will be developed into new drug-resistant strains. Approach: In thisresearch, we have conducted docking study to screen bioactive compounds from Zingiberaceae family,which has a role as neuraminidase inhibitor of influenza a virus. Results: The docking result identifiedthat 1, 2-di-O- β-D-glucopyranosyl-4-allylbenzene (BGA) compound has the affinity and ability toinhibit neuraminidase. There are fourteen residues contact of BGA compound to neuraminidase andeight residues contact of enzyme that formed hydrogen bond with catalytic site.Conclusion/recommendation: The docking result showed that BGA has better binding energy andaffinity compared with other bioactive compounds and the standard compounds.

【 授权许可】

Unknown