Focused On-demand Library for tRNA pseudouridine(38/39) synthase

Details

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.


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.


Our high-tech, dedicated method is applied to construct targeted 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
Q9BZE2

UPID:
PUS3_HUMAN

ALTERNATIVE NAMES:
tRNA pseudouridine synthase 3; tRNA pseudouridylate synthase 3; tRNA-uridine isomerase 3

ALTERNATIVE UPACC:
Q9BZE2; B2RAM0; Q96D17; Q96J23; Q96NB4

BACKGROUND:
tRNA pseudouridine synthase 3, with alternative names such as tRNA pseudouridylate synthase 3 and tRNA-uridine isomerase 3, is pivotal in RNA biology. It catalyzes the formation of pseudouridine, enhancing the stability and function of tRNA molecules, which are essential for accurate and efficient protein synthesis.

THERAPEUTIC SIGNIFICANCE:
Linked to a rare autosomal recessive disorder, this protein's dysfunction manifests in severe neurodevelopmental challenges, including intellectual disability and seizures. Targeting the underlying genetic variants affecting tRNA pseudouridine synthase 3 offers a promising avenue for developing treatments for affected individuals.

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