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.


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.


Our top-notch dedicated system is used to design specialised 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
Q9H9G7

UPID:
AGO3_HUMAN

ALTERNATIVE NAMES:
Argonaute RISC catalytic component 3; Eukaryotic translation initiation factor 2C 3

ALTERNATIVE UPACC:
Q9H9G7; B1ALI0; Q5TA55; Q9H1U6

BACKGROUND:
The Protein argonaute-3, with alternative names Argonaute RISC catalytic component 3 and Eukaryotic translation initiation factor 2C 3, is essential for RNA interference. It binds short RNAs like microRNAs to suppress mRNA translation and is implicated in the siRNA-dependent mRNA degradation process. Additionally, it has RNA slicer activity, crucial for gene silencing mechanisms.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Protein argonaute-3 may lead to innovative therapeutic approaches.

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