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 carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


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.


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


 

Fig. 1. The screening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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
Q8NBU5

UPID:
ATAD1_HUMAN

ALTERNATIVE NAMES:
ATPase family AAA domain-containing protein 1; Thorase

ALTERNATIVE UPACC:
Q8NBU5; D3DR26; Q6DKG1; Q6P4B9; Q8N3G1; Q8WYR9; Q969Y3

BACKGROUND:
The protein Outer mitochondrial transmembrane helix translocase, known as Thorase, is crucial for mitochondrial integrity and neuronal function. It extracts mistargeted tail-anchored proteins from the mitochondrion outer membrane and regulates AMPA receptor expression, impacting learning and memory.

THERAPEUTIC SIGNIFICANCE:
Thorase's association with Hyperekplexia 4, characterized by severe neurological impairment from birth, underscores its therapeutic potential. Exploring Thorase's role could open doors to potential therapeutic strategies for neurological disorders.

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