Focused On-demand Library for Speckle targeted PIP5K1A-regulated poly(A) polymerase

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.


We use our state-of-the-art dedicated workflow for designing focused 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
Q9H6E5

UPID:
STPAP_HUMAN

ALTERNATIVE NAMES:
RNA-binding motif protein 21; U6 snRNA-specific terminal uridylyltransferase 1

ALTERNATIVE UPACC:
Q9H6E5; A1A527; A8K995; Q2NL65; Q7L583; Q9H6H7

BACKGROUND:
Speckle targeted PIP5K1A-regulated poly(A) polymerase, known alternatively as RNA-binding motif protein 21 and U6 snRNA-specific terminal uridylyltransferase 1, is integral to mRNA synthesis and regulation. It not only adds a poly(A) tail to specific pre-mRNAs, enhancing their stability and translation, but also possesses uridylyltransferase activity, playing a role in U6 snRNA maturation. Its activity is crucial for the 3'-end processing of pre-mRNAs, indicating a significant function in gene expression regulation.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Speckle targeted PIP5K1A-regulated poly(A) polymerase could open doors to potential therapeutic strategies.

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