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.


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 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.


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
Q13523

UPID:
PRP4B_HUMAN

ALTERNATIVE NAMES:
PRP4 kinase; PRP4 pre-mRNA-processing factor 4 homolog

ALTERNATIVE UPACC:
Q13523; A8K5C9; Q5D0F6; Q5TAY8; Q8IVC3; Q8TDP2; Q96QT7; Q9UEE6

BACKGROUND:
The Serine/threonine-protein kinase PRP4 homolog, alternatively named PRP4 kinase or PRP4 pre-mRNA-processing factor 4 homolog, is integral to the pre-mRNA splicing process through its action on SF2/ASF. This kinase's activity is essential for the proper assembly and function of the spliceosome.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Serine/threonine-protein kinase PRP4 homolog offers a promising avenue for the development of novel therapeutic approaches. By targeting the mechanisms of pre-mRNA splicing, new treatments for genetic disorders may be discovered.

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