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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q14674
UPID:
ESPL1_HUMAN
Alternative names:
Caspase-like protein ESPL1; Extra spindle poles-like 1 protein; Separase
Alternative UPACC:
Q14674
Background:
Separin, also known as Caspase-like protein ESPL1, Extra spindle poles-like 1 protein, plays a pivotal role in chromosome segregation. It achieves this by cleaving the SCC1/RAD21 subunit of the cohesin complex at the onset of anaphase, ensuring proper cell division. Throughout most of the cell cycle, separin remains inactivated through various mechanisms, safeguarding against premature chromosomal separation.
Therapeutic significance:
Understanding the role of Separin could open doors to potential therapeutic strategies. Its critical function in cell division underscores its potential as a target in cancer therapy, where regulation of cell proliferation is a key concern.