Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q86T82
UPID:
UBP37_HUMAN
Alternative names:
Deubiquitinating enzyme 37; Ubiquitin thioesterase 37; Ubiquitin-specific-processing protease 37
Alternative UPACC:
Q86T82; A2RUQ8; B7ZM38; B7ZM41; E9PHL3; Q2KHT2; Q53S10; Q7Z3A5; Q9HCH8
Background:
Ubiquitin carboxyl-terminal hydrolase 37, also known as Deubiquitinating enzyme 37, plays a crucial role in cell cycle progression by mediating the deubiquitination of cyclin-A, facilitating S phase entry. It specifically targets 'Lys-11'-linked and 'Lys-48'-linked polyubiquitin chains, with its activity peaking during G1/S phase due to phosphorylation at Ser-628. This protein is instrumental in DNA replication, stabilizing the licensing factor CDT1.
Therapeutic significance:
Understanding the role of Ubiquitin carboxyl-terminal hydrolase 37 could open doors to potential therapeutic strategies.