Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q8WV22
UPID:
NSE1_HUMAN
Alternative names:
-
Alternative UPACC:
Q8WV22; D3DWF6; Q9P045; Q9P049
Background:
Non-structural maintenance of chromosomes element 1 homolog (NSMCE1) is a RING-type zinc finger-containing E3 ubiquitin ligase. It partners with melanoma antigen protein (MAGE) to facilitate the direct transfer of ubiquitin to specific substrates, playing a crucial role in genome integrity, DNA damage response, and repair. NSMCE1 is a component of the SMC5-SMC6 complex, enhancing homologous recombination-mediated DNA repair, and regulates the proteasomal degradation of MMS19, affecting several DNA repair enzymes.
Therapeutic significance:
Understanding the role of Non-structural maintenance of chromosomes element 1 homolog could open doors to potential therapeutic strategies.