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.
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 use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9H3M9
UPID:
ATX3L_HUMAN
Alternative names:
Machado-Joseph disease protein 1-like
Alternative UPACC:
Q9H3M9; B2RNY8
Background:
Ataxin-3-like protein, also known as Machado-Joseph disease protein 1-like, is a deubiquitinating enzyme. It plays a crucial role in cellular processes by cleaving both 'Lys-48'-linked and 'Lys-63'-linked poly-ubiquitin chains in vitro, showcasing its versatility in protein degradation pathways.
Therapeutic significance:
Understanding the role of Ataxin-3-like protein could open doors to potential therapeutic strategies. Its unique ability to process different types of poly-ubiquitin chains suggests its involvement in a wide range of cellular functions and diseases.