作者
Seyedeh Somayeh Seyedi, Munirah Shukri, Pouya Hassandarvish, Adrian Oo, Esaki Muthu Shankar, Sazaly Abubakar, Keivan Zandi
发表日期
2016/4/13
期刊
Scientific Reports
卷号
6
期号
1
页码范围
1-8
出版商
Nature Publishing Group
简介
Chikungunya virus (CHIKV) is a mosquito-borne alphavirus that causes chikungunya infection in humans. Despite the widespread distribution of CHIKV, no antiviral medication or vaccine is available against this virus. Therefore, it is crucial to find an effective compound to combat CHIKV. We aimed to predict the possible interactions between non-structural protein 3 (nsP) of CHIKV as one of the most important viral elements in CHIKV intracellular replication and 3 potential flavonoids using a computational approach. The 3-dimensional structure of nsP3 was retrieved from the Protein Data Bank, prepared and, using AutoDock Vina, docked with baicalin, naringenin and quercetagetin as ligands. The first-rated ligand with the strongest binding affinity towards the targeted protein was determined based on the minimum binding energy. Further analysis was conducted to identify both the active site of the protein that …
引用总数
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