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Steering New Drug Discovery Campaigns: Permeability, Solubility, and Physicochemical Properties in the bRo5 Chemical Space

Articolo
Data di Pubblicazione:
2021
Abstract:
An increasing number of drug discovery programs concern compounds in the beyond rule of 5 (bRo5) chemical space, such as cyclic peptides, macrocycles, and degraders. Recent results show that common paradigms of property-based drug design need revision to be applied to larger and more flexible compounds. A virtual event entitled "Solubility, permeability and physico-chemical properties in the bRo5 chemical space"was organized to provide preliminary guidance on how to make the discovery of oral drugs in the bRo5 space more effective. The four speakers emphasized the importance of the bRo5 space as a source of new oral drugs and provided examples of experimental and computational methods specifically tailored for design and optimization in this chemical space.
Tipologia CRIS:
03A-Articolo su Rivista
Keywords:
Beyond rule of 5; intramolecular interaction; molecular chameleon; property-based drug design; virtual event
Elenco autori:
Caron G.; Kihlberg J.; Goetz G.; Ratkova E.; Poongavanam V.; Ermondi G.
Autori di Ateneo:
CARON Giulia
ERMONDI Giuseppe
Link alla scheda completa:
https://iris.unito.it/handle/2318/1791098
Pubblicato in:
ACS MEDICINAL CHEMISTRY LETTERS
Journal
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URL

https://pmc.ncbi.nlm.nih.gov/articles/PMC7812602/
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