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.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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.
We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q96AY2
UPID:
EME1_HUMAN
Alternative names:
MMS4 homolog
Alternative UPACC:
Q96AY2; Q96N62
Background:
Crossover junction endonuclease EME1, also known as MMS4 homolog, plays a pivotal role in DNA repair mechanisms. It forms a complex with MUS81 to create a DNA structure-specific endonuclease, preferring branched DNA structures such as 3'-flap structures, replication forks, and nicked Holliday junctions. This activity is crucial for maintaining genomic stability by processing stalled or collapsed replication forks, especially during mitosis.
Therapeutic significance:
Understanding the role of Crossover junction endonuclease EME1 could open doors to potential therapeutic strategies. Its critical function in DNA repair and genomic stability positions it as a key target for developing treatments aimed at enhancing the DNA damage response in diseases characterized by genomic instability.