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.
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.
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.
Our high-tech, dedicated method is applied to construct targeted 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 stands out due to several important features:
partner
Reaxense
upacc
Q96NY9
UPID:
MUS81_HUMAN
Alternative names:
-
Alternative UPACC:
Q96NY9; Q9H7D9
Background:
Crossover junction endonuclease MUS81 plays a pivotal role in DNA repair, partnering with EME1 and EME2 to form a specialized endonuclease. This enzyme preferentially targets branched DNA structures, crucial for resolving replication forks and Holliday junctions during mitosis. Its ability to process stalled or collapsed replication forks is vital for maintaining genomic stability.
Therapeutic significance:
Understanding the role of Crossover junction endonuclease MUS81 could open doors to potential therapeutic strategies. Its fundamental function in DNA repair and replication fork processing positions it as a key target for developing novel treatments aimed at enhancing genomic stability in disease contexts.