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Grzybowski, Bartosz A.
School of Natural Science
Research Interests
  • Nano science
  • Nanomaterials
  • Programmable Reactions
  • Chemical Networks
  • Cellular Dynamics

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Computer-generated "synthetic contingency" plans at times of logistics and supply problems: scenarios for hydroxychloroquine and remdesivir

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Title
Computer-generated "synthetic contingency" plans at times of logistics and supply problems: scenarios for hydroxychloroquine and remdesivir
Author
Szymkuc, SaraGajewska, Ewa P.Molga, KarolWolos, AgnieszkaRoszak, RafalBeker, WiktorMoskal, MartynaDittwald, PiotrGrzybowski, Bartosz A.
Issue Date
2020-07
Publisher
ROYAL SOC CHEMISTRY
Citation
CHEMICAL SCIENCE, v.11, no.26, pp.6736 - 6744
Abstract
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.
URI
https://scholarworks.unist.ac.kr/handle/201301/49520
URL
https://pubs.rsc.org/en/content/articlelanding/2020/SC/D0SC01799J#!divAbstract
DOI
10.1039/d0sc01799j
ISSN
2041-6520
Appears in Collections:
CHM_Journal Papers
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