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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner 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.
We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening 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 is unique due to several crucial aspects:
partner
Reaxense
upacc
Q8N594
UPID:
MPND_HUMAN
Alternative names:
-
Alternative UPACC:
Q8N594; Q96SJ0; Q9Y2P1; Q9Y2P2
Background:
The MPN domain-containing protein, identified by its unique sequence Q8N594, plays a crucial role in cellular processes. It is a probable protease, sharing similarities with other proteins in its class. Notably, it serves as a sensor for N(6)-methyladenosine (m6A) methylation on DNA, a modification critical for gene expression regulation. By recognizing and binding m6A DNA, it facilitates its degradation, as highlighted in research (PubMed:30982744).
Therapeutic significance:
Understanding the role of MPN domain-containing protein could open doors to potential therapeutic strategies. Its ability to interact with m6A-modified DNA suggests a pivotal role in gene expression pathways, which are often dysregulated in diseases.