Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.


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 use our state-of-the-art dedicated workflow for designing 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
P17844

UPID:
DDX5_HUMAN

ALTERNATIVE NAMES:
DEAD box protein 5; RNA helicase p68

ALTERNATIVE UPACC:
P17844; B4DLW8; B5BU21; D3DU32; E7ETL9; O75681; Q53Y61

BACKGROUND:
The Probable ATP-dependent RNA helicase DDX5, known as RNA helicase p68, is integral to pre-mRNA splicing and transcriptional regulation. Its involvement in increasing tau exon 10 inclusion, transcriptional coactivation for AR and p53/TP53, and skeletal muscle differentiation highlights its multifunctionality. DDX5 synergizes with DDX17 and SRA1 RNA to activate MYOD1 transcriptional activity, playing a key role in osteoblast differentiation and circadian rhythm regulation.

THERAPEUTIC SIGNIFICANCE:
Exploring the multifaceted functions of DDX5 unveils new avenues for therapeutic intervention.

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