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 use our state-of-the-art dedicated workflow for designing focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.
Key features that set our library apart include:
partner
Reaxense
upacc
Q9Y3R0
UPID:
GRIP1_HUMAN
Alternative names:
-
Alternative UPACC:
Q9Y3R0; C9JT59; Q1RLM0
Background:
Glutamate receptor-interacting protein 1 plays a pivotal role as a scaffold for signaling complex assembly and mediates trafficking of binding partners in neurons. It is crucial for the intracellular fate of AMPAR and endosomal sorting of the GRIA2 subunit.
Therapeutic significance:
Linked to Fraser syndrome 3, a disorder marked by cryptophthalmos, syndactyly, and urogenital abnormalities, understanding the role of Glutamate receptor-interacting protein 1 could open doors to potential therapeutic strategies.