Bioactive Compounds Screening from Zingiberaceae Family as Influenza A/Swine Flu Virus Neuraminidase Inhibitor through Docking Approach
- 1 University of Indonesia, Indonesia
Abstract
Problem statement: Influenza A/H1N1 is a disease caused by infection of influenza a virus subtype H1N1. It is a major health problem in tropical and subtropical countries. This virus constantly mutates and consequently will be developed into new drug-resistant strains. Approach: In this research, 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 identified that 1, 2-di-O- β-D-glucopyranosyl-4-allylbenzene (BGA) compound has the affinity and ability to inhibit neuraminidase. There are fourteen residues contact of BGA compound to neuraminidase and eight residues contact of enzyme that formed hydrogen bond with catalytic site. Conclusion/recommendation: The docking result showed that BGA has better binding energy and affinity compared with other bioactive compounds and the standard compounds.
DOI: https://doi.org/10.3844/ojbsci.2010.151.156
Copyright: © 2010 Usman Sumo Friend Tambunan, Fadilah and Arli Aditya Parikesit. This is an open access article distributed under the terms of the
Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.
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Keywords
- 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