Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
We utilise our cutting-edge, exclusive workflow to develop focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q70EK8
UPID:
UBP53_HUMAN
Alternative names:
Inactive ubiquitin-specific peptidase 53
Alternative UPACC:
Q70EK8; Q68DA5; Q8WVQ5; Q9P2J7
Background:
Inactive ubiquitin carboxyl-terminal hydrolase 53, also known as Inactive ubiquitin-specific peptidase 53, plays a crucial role in the survival of auditory hair cells and hearing. It is associated with tight junctions, contributing to their barrier properties and mechanical stability, despite lacking peptidase activity.
Therapeutic significance:
This protein is implicated in Cholestasis, progressive familial intrahepatic, 7, with or without hearing loss, a severe liver disorder leading to cirrhosis and end-stage liver disease. Understanding its function could pave the way for innovative treatments for both liver and hearing conditions.