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 promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Our library stands out due to several important features:
partner
Reaxense
upacc
O00329
UPID:
PK3CD_HUMAN
Alternative names:
Phosphatidylinositol 4,5-bisphosphate 3-kinase 110 kDa catalytic subunit delta
Alternative UPACC:
O00329; A6NCG0; G1FFP1; O15445; Q5SR49
Background:
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, also known as Phosphatidylinositol 4,5-bisphosphate 3-kinase 110 kDa catalytic subunit delta, plays a pivotal role in cell signaling pathways. It phosphorylates phosphatidylinositol and its derivatives, producing 3-phosphoinositides essential for cell growth, survival, and immune responses. Its activity is crucial for B-cell and T-cell function, NK cell development, and mast cell-mediated allergic responses.
Therapeutic significance:
This protein is implicated in several immunodeficiencies, including Immunodeficiency 14A and 14B, and Roifman-Chitayat syndrome, characterized by recurrent infections and impaired immune responses. Targeting its function could lead to novel treatments for these disorders.