Focused On-demand Library for Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform

Focused On-demand Libraries - Receptor.AI Collaboration


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.


We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by Reaxense.


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.


Our top-notch dedicated system is used to design specialised libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.


Key features that set our library apart include:


  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.

  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.

  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.

  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

PARTNER
Receptor.AI
 
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:
PIK3CG, a key enzyme in the PI3K signaling pathway, regulates important cellular functions such as cell migration, immune response, and cardiovascular health. It acts by phosphorylating PtdIns(4,5)P2 to generate PIP3, facilitating the recruitment of proteins crucial for cell signaling. Its roles extend to leukocyte polarization, dendritic cell motility, and B-lymphocyte signaling, highlighting its broad impact on cellular physiology.

THERAPEUTIC SIGNIFICANCE:
The association of PIK3CG with Immunodeficiency 97 with autoinflammation underscores its therapeutic potential. By elucidating PIK3CG's mechanisms, novel therapeutic approaches could be developed for autoinflammatory and immunodeficiency disorders, offering hope for patients with these challenging conditions.

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