Szymkuć Sara, Gajewska Ewa P, Molga Karol, Wołos Agnieszka, Roszak Rafał, Beker Wiktor, Moskal Martyna, Dittwald Piotr, Grzybowski Bartosz A
Institute of Organic Chemistry , Polish Academy of Sciences , ul. Kasprzaka 44/52 , Warsaw 02-224 , Poland . Email:
IBS Center for Soft and Living Matter , 50, UNIST-gil, Eonyang-eup, Ulju-gun , Ulsan , 689-798 , South Korea.
Chem Sci. 2020 Jun 10;11(26):6736-6744. doi: 10.1039/d0sc01799j. eCollection 2020 Jul 14.
A computer program for retrosynthetic planning helps develop multiple "synthetic contingency" plans for hydroxychloroquine and also routes leading to remdesivir, both promising but yet unproven medications against COVID-19. These plans are designed to navigate, as much as possible, around known and patented routes and to commence from inexpensive and diverse starting materials, so as to ensure supply in case of anticipated market shortages of commonly used substrates. Looking beyond the current COVID-19 pandemic, development of similar contingency syntheses is advocated for other already-approved medications, in case such medications become urgently needed in mass quantities to face other public-health emergencies.
一个用于逆合成规划的计算机程序有助于为羟氯喹制定多个“合成应急”计划，同时也规划出通向瑞德西韦的合成路线，这两种药物在抗击新冠病毒方面都颇具潜力，但尚未得到验证。这些计划旨在尽可能避开已知的和已获专利的路线，并从廉价且多样的起始原料开始，以确保在常用底物预计出现市场短缺的情况下能够供应。展望当前新冠疫情之外的情况，对于其他已获批药物，提倡开发类似的应急合成方法，以防在面对其他公共卫生紧急情况时急需大量此类药物。
