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Computer-generated “synthetic contingency” plans at times of logistics and supply problems: scenarios for hydroxychloroquine and remdesivir
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...
Autores principales: | , , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Royal Society of Chemistry
2020
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7500088/ https://www.ncbi.nlm.nih.gov/pubmed/33033595 http://dx.doi.org/10.1039/d0sc01799j |
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author | Szymkuć, Sara Gajewska, Ewa P. Molga, Karol Wołos, Agnieszka Roszak, Rafał Beker, Wiktor Moskal, Martyna Dittwald, Piotr Grzybowski, Bartosz A. |
author_facet | Szymkuć, Sara Gajewska, Ewa P. Molga, Karol Wołos, Agnieszka Roszak, Rafał Beker, Wiktor Moskal, Martyna Dittwald, Piotr Grzybowski, Bartosz A. |
author_sort | Szymkuć, Sara |
collection | PubMed |
description | 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. |
format | Online Article Text |
id | pubmed-7500088 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
publisher | Royal Society of Chemistry |
record_format | MEDLINE/PubMed |
spelling | pubmed-75000882020-10-07 Computer-generated “synthetic contingency” plans at times of logistics and supply problems: scenarios for hydroxychloroquine and remdesivir Szymkuć, Sara Gajewska, Ewa P. Molga, Karol Wołos, Agnieszka Roszak, Rafał Beker, Wiktor Moskal, Martyna Dittwald, Piotr Grzybowski, Bartosz A. Chem Sci Chemistry 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. Royal Society of Chemistry 2020-06-10 /pmc/articles/PMC7500088/ /pubmed/33033595 http://dx.doi.org/10.1039/d0sc01799j Text en This journal is © The Royal Society of Chemistry 2020 http://creativecommons.org/licenses/by-nc/3.0/ This article is freely available. This article is licensed under a Creative Commons Attribution Non Commercial 3.0 Unported Licence (CC BY-NC 3.0) |
spellingShingle | Chemistry Szymkuć, Sara Gajewska, Ewa P. Molga, Karol Wołos, Agnieszka Roszak, Rafał Beker, Wiktor Moskal, Martyna Dittwald, Piotr Grzybowski, Bartosz A. Computer-generated “synthetic contingency” plans at times of logistics and supply problems: scenarios for hydroxychloroquine and remdesivir |
title | Computer-generated “synthetic contingency” plans at times of logistics and supply problems: scenarios for hydroxychloroquine and remdesivir
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title_full | Computer-generated “synthetic contingency” plans at times of logistics and supply problems: scenarios for hydroxychloroquine and remdesivir
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title_fullStr | Computer-generated “synthetic contingency” plans at times of logistics and supply problems: scenarios for hydroxychloroquine and remdesivir
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title_full_unstemmed | Computer-generated “synthetic contingency” plans at times of logistics and supply problems: scenarios for hydroxychloroquine and remdesivir
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title_short | Computer-generated “synthetic contingency” plans at times of logistics and supply problems: scenarios for hydroxychloroquine and remdesivir
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title_sort | computer-generated “synthetic contingency” plans at times of logistics and supply problems: scenarios for hydroxychloroquine and remdesivir |
topic | Chemistry |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7500088/ https://www.ncbi.nlm.nih.gov/pubmed/33033595 http://dx.doi.org/10.1039/d0sc01799j |
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