Computer-generated “synthetic contingency” plans at times of logistics and supply problems: scenarios for hydroxychloroquine and remdesivir,Chemical Science

当前位置： X-MOL 学术 › Chem. Sci. › 论文详情

Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)

Computer-generated “synthetic contingency” plans at times of logistics and supply problems: scenarios for hydroxychloroquine and remdesivir
Chemical Science ( IF 7.6 ) Pub Date : 2020-06-10 , DOI: 10.1039/d0sc01799j
Sara Szymkuć ₁ , Ewa P Gajewska ₁ , Karol Molga ₁ , Agnieszka Wołos ₁ , Rafał Roszak ₁ , Wiktor Beker ₁ , Martyna Moskal ₁ , Piotr Dittwald ₁ , Bartosz A Grzybowski _{1,

2,

3}

Affiliation

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.

中文翻译：

出现物流和供应问题时计算机生成的“综合应急”计划：羟氯喹和瑞德西韦的场景

用于逆合成规划的计算机程序有助于制定羟氯喹的多个“合成应急”计划以及瑞德西韦的研发路线，这两种药物都是很有前景但尚未得到证实的抗击 COVID-19 的药物。这些计划旨在尽可能地围绕已知的专利路线进行导航，并从廉价且多样化的起始材料开始，以确保在常用基材预期市场短缺的情况下的供应。展望当前的 COVID-19 大流行之外，建议为其他已批准的药物开发类似的应急合成方法，以防急需大量此类药物来应对其他公共卫生紧急情况。

更新日期：2020-07-08

点击分享查看原文

点击收藏

公开下载

阅读更多本刊最新论文本刊介绍/投稿指南11