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.


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 employ our advanced, specialised process to create targeted 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
Q8NB90

UPID:
AFG2A_HUMAN

ALTERNATIVE NAMES:
AFG2 AAA ATPase homolog A; Ribosome biogenesis protein SPATA5; Spermatogenesis-associated factor protein; Spermatogenesis-associated protein 5

ALTERNATIVE UPACC:
Q8NB90; C9JT97; Q86XW1; Q8NI20; Q8TDL7

BACKGROUND:
ATPase family gene 2 protein homolog A, known for its alternative names such as Spermatogenesis-associated factor protein, is crucial for ribosomal particle maturation in the cytoplasm. It promotes the release of shuttling protein RSL24D1/RLP24 from pre-ribosomal particles, in collaboration with AFG2B, AIRIM, and CINP. Its role extends to mitochondrial transformations during spermatogenesis, underscoring its importance in cellular and reproductive biology.

THERAPEUTIC SIGNIFICANCE:
Given its association with a severe neurodevelopmental disorder involving hearing loss, seizures, and brain abnormalities, the ATPase family gene 2 protein homolog A represents a significant target for drug discovery efforts aimed at mitigating these debilitating conditions.

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