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...

Ausführliche Beschreibung

Gespeichert in:
Bibliographische Detailangaben
Veröffentlicht in:Chemical science (Cambridge) 2020-07, Vol.11 (26), p.6736-6744
Hauptverfasser: Szymku, Sara, Gajewska, Ewa P, Molga, Karol, Wo os, Agnieszka, Roszak, Rafa, Beker, Wiktor, Moskal, Martyna, Dittwald, Piotr, Grzybowski, Bartosz A
Format: Artikel
Sprache:eng
Schlagworte:
Online-Zugang:Volltext
Tags: Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
Beschreibung
Zusammenfassung: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. 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.
ISSN:2041-6520
2041-6539
DOI:10.1039/d0sc01799j