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. Our collaborator, 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.
We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q9BQ50
UPID:
TREX2_HUMAN
Alternative names:
3'-5' exonuclease TREX2
Alternative UPACC:
Q9BQ50; Q45F08; Q9UN77
Background:
Three prime repair exonuclease 2 (TREX2), also known as 3'-5' exonuclease TREX2, plays a pivotal role in DNA repair mechanisms. It exhibits a preference for double-stranded DNA with mismatched 3' termini, highlighting its specificity in targeting and correcting DNA errors. This function is crucial for maintaining genomic stability and preventing mutations.
Therapeutic significance:
Understanding the role of Three prime repair exonuclease 2 could open doors to potential therapeutic strategies. Its involvement in DNA repair processes makes it a promising target for developing treatments aimed at enhancing DNA repair mechanisms, potentially offering new avenues for addressing genetic disorders.