Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by Reaxense.


The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.


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


 

Fig. 1. The screening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.


Our library stands out due to several important features:


  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.

  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.

  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.

  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.


PARTNER
Receptor.AI
 
UPACC
O00459

UPID:
P85B_HUMAN

ALTERNATIVE NAMES:
Phosphatidylinositol 3-kinase 85 kDa regulatory subunit beta

ALTERNATIVE UPACC:
O00459; Q5EAT5; Q9UPH9

BACKGROUND:
The Phosphatidylinositol 3-kinase regulatory subunit beta is integral to activating signaling cascades by generating PIP3, which recruits proteins like AKT1 to the membrane. Its involvement in indirectly regulating autophagy and improving glucose tolerance underlines its critical role in metabolic processes and cellular homeostasis.

THERAPEUTIC SIGNIFICANCE:
Given its association with Megalencephaly-polymicrogyria-polydactyly-hydrocephalus syndrome 1, targeting Phosphatidylinositol 3-kinase regulatory subunit beta presents a promising avenue for developing treatments for this and potentially other related genetic disorders.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.