Focused On-demand Library for Separin

Focused On-demand Libraries - Reaxense Collaboration

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

Our top-notch dedicated system is used to design specialised libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

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.