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.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


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 utilise our cutting-edge, exclusive workflow to develop focused 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.


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
Receptor.AI
 
UPACC
Q6A1A2

UPID:
PDPK2_HUMAN

ALTERNATIVE NAMES:
3-phosphoinositide-dependent protein kinase 2 pseudogene

ALTERNATIVE UPACC:
Q6A1A2

BACKGROUND:
Putative 3-phosphoinositide-dependent protein kinase 2, with its alternative name 3-phosphoinositide-dependent protein kinase 2 pseudogene, is a critical enzyme in the phosphorylation and activation of several key kinases such as PKB/AKT, PKA, PKC-zeta, RPS6KA1, and RPS6KB1. Its function is essential for signaling processes and development, indicating its fundamental role in the regulation of cellular activities.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Putative 3-phosphoinositide-dependent protein kinase 2 holds the key to unlocking new therapeutic avenues. Given its central role in multiple signaling pathways, targeting this protein could lead to innovative treatments for diseases where these pathways are dysregulated.

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