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

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.

Automated summary

An increasing number of drug discovery programs are focusing on compounds in the beyond rule of 5 (bRo5) chemical space, requiring revised paradigms of property-based drug design. A virtual event provided preliminary guidance on how to effectively discover oral drugs in the bRo5 space, emphasizing its importance as a source of new oral drugs. The speakers highlighted experimental and computational methods specifically tailored for design and optimization in this chemical space.