Focused On-demand Library for Phosphatidylinositol 3-kinase regulatory subunit alpha

Focused On-demand Libraries - Reaxense Collaboration

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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

Fig. 1. The sreening 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.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

P27986

UPID:

P85A_HUMAN

Alternative names:

Phosphatidylinositol 3-kinase 85 kDa regulatory subunit alpha

Alternative UPACC:

P27986; B3KT19; D3DWA0; E7EX19; Q15747; Q4VBZ7; Q53EM6; Q8IXA2; Q8N1C5

Background:

The Phosphatidylinositol 3-kinase regulatory subunit alpha, also known as the 85 kDa regulatory subunit alpha, plays a pivotal role in cellular processes by binding to activated protein-Tyr kinases through its SH2 domain. This interaction is crucial for mediating the association of the p110 catalytic unit to the plasma membrane, facilitating insulin-stimulated glucose uptake and glycogen synthesis in insulin-sensitive tissues.

Therapeutic significance:

Linked to diseases such as Agammaglobulinemia 7, autosomal recessive, SHORT syndrome, and Immunodeficiency 36 with lymphoproliferation, this protein's involvement in primary immunodeficiencies and multisystem diseases underscores its potential as a target for therapeutic intervention. Understanding the role of Phosphatidylinositol 3-kinase regulatory subunit alpha could open doors to potential therapeutic strategies.