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

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.

Our high-tech, dedicated method is applied to construct targeted 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.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's 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.