Department of Bioinformatics, Alagappa University, Karaikudi, Tamilnadu 630 003 India.
Indian J Microbiol. 2012 Mar;52(1):28-34. doi: 10.1007/s12088-011-0201-7. Epub 2011 Aug 9.
Yellow fever virus (YFV) is caused by single stranded positive RNA virus called Flavivirus. Till now no specific antiviral agents are available for the treatment of YFV, and despite a commercial YFV vaccine, there are still approximately 30,000 deaths worldwide each year and cases have been increasing in the last 20 years. Here, the effects of adenosine analogues and commercially available adenosine derivative drugs on NS5 methyltransferase of YFV have been performed by the comparative docking study. Based on the docking score, the glide energy and the number of interactions of the adenosine analogues with the Pubchem ID 13792 and 1077 showed the better scoring function than the best ranked commercially available adenosine analogue derived antiviral drug Cc3ado. From the docking result it reveals that these adenosine analogues can bind to the active site of NS5 methyltransferase protein and inhibit the viral replication.
黄热病毒（YFV）是由单链正链 RNA 病毒引起的，称为黄病毒。到目前为止，还没有专门用于治疗 YFV 的抗病毒药物，尽管有商业 YFV 疫苗，但每年仍有大约 30000 人死亡，而且在过去 20 年中病例一直在增加。在这里，通过比较对接研究研究了腺嘌呤类似物和市售腺嘌呤衍生物药物对 YFV NS5 甲基转移酶的影响。根据对接评分、滑行能量和Pubchem ID 13792 和 1077 与腺嘌呤类似物的相互作用数，显示出比排名最高的市售腺嘌呤类似物衍生抗病毒药物 Cc3ado 更好的评分功能。从对接结果可以看出，这些腺嘌呤类似物可以与 NS5 甲基转移酶蛋白的活性位点结合，从而抑制病毒复制。
