AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Sentrin-specific protease 7

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

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.

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

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:

  • 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

Q9BQF6

UPID:

SENP7_HUMAN

Alternative names:

SUMO-1-specific protease 2; Sentrin/SUMO-specific protease SENP7

Alternative UPACC:

Q9BQF6; A1L3A5; A8MW39; B7WNW8; Q7Z3F4; Q96PS5; Q9C0F6; Q9HBT5

Background:

Sentrin-specific protease 7, also known as SUMO-1-specific protease 2 or Sentrin/SUMO-specific protease SENP7, plays a pivotal role in the cGAS-STING pathway by facilitating desumoylation of CGAS. This process enhances DNA-binding activity, promoting oligomerization and activation. SENP7 selectively deconjugates SUMO2 and SUMO3 from proteins, crucial for regulating poly-SUMO2 and poly-SUMO3 chains' dynamics, albeit with limited efficiency in processing full-length SUMO proteins to their mature forms.

Therapeutic significance:

Understanding the role of Sentrin-specific protease 7 could open doors to potential therapeutic strategies, particularly in modulating immune responses and inflammation through the cGAS-STING pathway.

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