Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
P48736
UPID:
PK3CG_HUMAN
Alternative names:
Phosphatidylinositol 4,5-bisphosphate 3-kinase 110 kDa catalytic subunit gamma; Phosphoinositide-3-kinase catalytic gamma polypeptide; Serine/threonine protein kinase PIK3CG; p120-PI3K
Alternative UPACC:
P48736; A4D0Q6; Q8IV23; Q9BZC8
Background:
The Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, also known as PIK3CG, plays a pivotal role in cellular processes including growth, survival, proliferation, and motility. It is crucial in immune responses, modulating leukocyte chemotaxis, and involved in the development and migration of natural killer cells and T-lymphocytes. PIK3CG's kinase activity influences cardiac contractility and contributes to pathological cardiac hypertrophy.
Therapeutic significance:
Given its involvement in Immunodeficiency 97 with autoinflammation, targeting PIK3CG presents a promising avenue for therapeutic intervention. Understanding the role of PIK3CG could open doors to potential therapeutic strategies, particularly in treating immune-related disorders and modulating cardiac functions.