Litterman Nadia, Lipinski Christopher, Ekins Sean
Collaborative Drug Discovery, 1633 Bayshore Highway, Suite 342, Burlingame, CA, 94010, USA.
Christopher A. Lipinski, Ph.D., LLC., 10 Connshire Drive, Waterford, CT, 06385-4122, USA.
F1000Res. 2015 Feb 9;4:38. doi: 10.12688/f1000research.6120.1. eCollection 2015.
The recent outbreak of the Ebola virus in West Africa has highlighted the clear shortage of broad-spectrum antiviral drugs for emerging viruses. There are numerous FDA approved drugs and other small molecules described in the literature that could be further evaluated for their potential as antiviral compounds. These molecules are in addition to the few new antivirals that have been tested in Ebola patients but were not originally developed against the Ebola virus, and may play an important role as we await an effective vaccine. The balance between using FDA approved drugs versus novel antivirals with minimal safety and no efficacy data in humans should be considered. We have evaluated 55 molecules from the perspective of an experienced medicinal chemist as well as using simple molecular properties and have highlighted 16 compounds that have desirable qualities as well as those that may be less desirable. In addition we propose that a collaborative database for sharing such published and novel information on small molecules is needed for the research community studying the Ebola virus.
近期西非爆发的埃博拉病毒凸显了针对新兴病毒的广谱抗病毒药物明显短缺的问题。文献中描述了许多已获美国食品药品监督管理局（FDA）批准的药物及其他小分子，可对其作为抗病毒化合物的潜力作进一步评估。除了少数几种已在埃博拉患者身上进行测试但最初并非针对埃博拉病毒研发的新型抗病毒药物外，这些分子在我们等待有效疫苗的过程中可能发挥重要作用。应考虑在使用FDA批准的药物与安全性最低且尚无人体疗效数据的新型抗病毒药物之间进行权衡。我们从经验丰富的药物化学家的角度，并利用简单的分子特性对55种分子进行了评估，突出了16种具有理想特性以及可能不太理想特性的化合物。此外，我们建议，对于研究埃博拉病毒的科研群体而言，需要一个用于共享有关小分子的此类已发表及新信息的协作数据库。
