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.


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.


The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.


We employ our advanced, specialised process to create targeted 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.


Key features that set our library apart include:


  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.

  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.

  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.

  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.


PARTNER
Receptor.AI
 
UPACC
O75110

UPID:
ATP9A_HUMAN

ALTERNATIVE NAMES:
ATPase class II type 9A

ALTERNATIVE UPACC:
O75110; E1P5Y3; E1P5Y4; Q5TFW5; Q5TFW6; Q5TFW9; Q6ZMF3; Q9NQK6; Q9NQK7

BACKGROUND:
Probable phospholipid-transporting ATPase IIA, or ATPase class II type 9A, is integral for membrane trafficking processes, such as endosome to plasma membrane recycling and retrograde transport to the trans-Golgi network. It facilitates the activation of RAB5 and RAB11, and is involved in the regulation of SNX3 retromer-mediated endosomal sorting alongside MON2 and DOP1B, crucial for the trafficking of WLS in tissue development. This protein also negatively regulates exosome release and is vital for neurite and synaptic health.

THERAPEUTIC SIGNIFICANCE:
Given its association with a neurodevelopmental disorder marked by growth and behavioral abnormalities, targeting Probable phospholipid-transporting ATPase IIA offers a promising avenue for therapeutic intervention.

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