Focused On-demand Library for Sentrin-specific protease 7

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.

We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

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.