通过逆合成软件的帮助,优化了抗COVID-19药物的合成
Wentao Qi1, Dong Zhai1, Danna Song1
1Institute of Molecular Sciences and Engineering, Institute of Frontier and Interdisciplinary Science, Shandong University Qingdao 266237 P. R. China dengwq@sdu.edu.cn.
RSC medicinal chemistry
|July 24, 2023
概括
一个新的三步合成路线显著降低了费用,并增加了favipiravir的产量,这是一种潜在的COVID-19治疗方法. 这种优化的方法还改善了沙比扎布林的生产,帮助全球药物获取.
科学领域:
- 药用化学 医学化学
- 有机合成 有机合成
- 药物开发 药物开发
背景情况:
- 由于COVID-19的流行,需要低成本,高效的抗病毒药物生产.
- 法维皮拉维尔是一种有前途的抗病毒药物,但其最初的合成成本昂贵且效率低下,产量仅为0.8%,价格高达68美元/克.
- 萨比扎布林是另一种需要优化合成的候选药物.
研究的目的:
- 为了开发一个成本效益和高效的合成favipiravir.
- 应用开发的优化萨比扎布林合成策略.
- 提高全球关键抗病毒药物的可获得性.
主要方法:
- 利用改进的逆合成软件来设计一种新的合成途径.
- 在安全,近环境空气条件下实施了三步合成.
- 将相同的优化策略应用于sabizabulin合成.
主要成果:
- 获得了32%的favipiravir产量,比原来的0.8%显著增加.
- 将生产成本降至每克1.54美元,从每克68美元大幅下降.
- 通过使用相同的方法,成功优化了sabizabulin的合成.
结论:
- 新的三步合成路线为生产法维皮拉维尔提供了低成本和高效的方法.
- 这种优化的合成策略可以应用于其他关键的抗病毒药物,如sabizabulin.
- 预计改进的生产方法将有助于全球预防和治疗COVID-19.
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