Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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
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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q96QZ0
UPID:
PANX3_HUMAN
Alternative names:
-
Alternative UPACC:
Q96QZ0
Background:
Pannexin-3, encoded by the gene symbol Q96QZ0, plays a crucial role as a structural component of gap junctions and hemichannels. These structures are pivotal for cell-to-cell communication, allowing the transfer of ions and small molecules between cells in various tissues.
Therapeutic significance:
Understanding the role of Pannexin-3 could open doors to potential therapeutic strategies. Its involvement in the fundamental process of cellular communication highlights its potential as a target for therapeutic intervention in diseases where cell signaling is disrupted.