Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.


Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.


We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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
Q9NPB8

UPID:
GPCP1_HUMAN

ALTERNATIVE NAMES:
Glycerophosphodiester phosphodiesterase 5

ALTERNATIVE UPACC:
Q9NPB8; D3DW06; Q9BQL8; Q9NUX0

BACKGROUND:
The protein Glycerophosphocholine phosphodiesterase GPCPD1, alternatively named Glycerophosphodiester phosphodiesterase 5, is implicated in the regulation of skeletal muscle differentiation. Its activity extends beyond its known enzymatic function, suggesting a complex involvement in muscle physiology.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Glycerophosphocholine phosphodiesterase GPCPD1 offers promising avenues for therapeutic intervention. As it influences muscle differentiation, targeting this protein could lead to innovative approaches in treating muscle degeneration disorders.

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