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.
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.
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.
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 stands out due to several important features:
partner
Reaxense
upacc
O00167
UPID:
EYA2_HUMAN
Alternative names:
-
Alternative UPACC:
O00167; Q5JSW8; Q86U84; Q96CV6; Q96H97; Q99503; Q99812; Q9BWF6; Q9H4S3; Q9H4S9; Q9NPZ4; Q9UIX7
Background:
Eyes absent homolog 2 (EYA2) serves dual roles as a protein phosphatase and transcriptional coactivator, crucial for organogenesis and DNA repair. It dephosphorylates 'Tyr-142' of histone H2AX, facilitating DNA repair by recruiting MDC1-containing complexes. EYA2's involvement in hypaxial muscle development, alongside SIX1 and DACH2, underscores its redundancy with EYA1 in this process.
Therapeutic significance:
Understanding the role of Eyes absent homolog 2 could open doors to potential therapeutic strategies, especially in enhancing DNA repair mechanisms and muscle development processes.