Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by Reaxense.


The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.


Our top-notch dedicated system is used to design specialised libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.


Our library distinguishes itself through several key aspects:


  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.

  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.

  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.

  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.


PARTNER
Receptor.AI
 
UPACC
Q9NP87

UPID:
DPOLM_HUMAN

ALTERNATIVE NAMES:
Terminal transferase

ALTERNATIVE UPACC:
Q9NP87; D3DVK4; Q6P5X8; Q86WQ9

BACKGROUND:
Terminal transferase, or DNA-directed DNA/RNA polymerase mu, is essential for DNA double-strand break repair via non-homologous end joining (NHEJ) and plays a pivotal role in V(D)J recombination for immunoglobulin light chain gene rearrangement. This enzyme's activity is crucial for maintaining genomic integrity and immune system diversity.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Terminal transferase opens up new avenues for therapeutic interventions. Its critical role in DNA repair mechanisms and immune system development makes it a promising target for treatments aimed at genetic stability and immune enhancement.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.