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

Details

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.


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 employ our advanced, specialised process to create targeted libraries for enzymes.


 

Fig. 1. The screening 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.


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
Receptor.AI
 
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:
Phosphatidylinositol 3-kinase regulatory subunit alpha is integral to signaling in response to various growth factors and plays a role in ITGB2 signaling. Its ability to modulate the cellular response to ER stress by promoting nuclear translocation of XBP1 isoform 2 highlights its significance in glucose tolerance and insulin sensitivity.

THERAPEUTIC SIGNIFICANCE:
Given its association with conditions like Agammaglobulinemia 7, autosomal recessive, and its role in insulin signaling and cellular stress responses, targeting Phosphatidylinositol 3-kinase regulatory subunit alpha presents a promising avenue for developing treatments for related primary immunodeficiencies and metabolic disorders.

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