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 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
Q6ZMU5
UPID:
TRI72_HUMAN
Alternative names:
Mitsugumin-53
Alternative UPACC:
Q6ZMU5; Q8N4X6; Q8NBD9
Background:
Tripartite motif-containing protein 72, also known as Mitsugumin-53, plays a pivotal role in cellular repair mechanisms. It specifically binds to phosphatidylserine and acts as an oxidation sensor, facilitating the assembly of repair machinery at injury sites. This protein is essential for the nucleation and recruitment of TRIM72-containing vesicles, leading to membrane patch formation. It also plays a role in the transport of DYSF to injury sites and regulates membrane budding and exocytosis.
Therapeutic significance:
Understanding the role of Tripartite motif-containing protein 72 could open doors to potential therapeutic strategies.