Focused On-demand Library for Membrane-bound transcription factor site-2 protease

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.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

Our high-tech, dedicated method is applied to construct targeted 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

O43462

UPID:

MBTP2_HUMAN

Alternative names:

Endopeptidase S2P; Sterol regulatory element-binding proteins intramembrane protease

Alternative UPACC:

O43462; Q9UM70; Q9UMD3

Background:

Membrane-bound transcription factor site-2 protease, also known as Endopeptidase S2P, plays a pivotal role in intramembrane proteolysis of key regulatory proteins such as ATF6 and SREBP, crucial for lipid metabolism and ER stress response. Its activity is essential for the proteolytic activation of sterol regulatory element-binding proteins, facilitating their nuclear translocation to activate gene transcription.

Therapeutic significance:

The protein's involvement in diseases like IFAP syndrome 1, Olmsted syndrome, Keratosis follicularis spinulosa decalvans, and Osteogenesis imperfecta 19 highlights its clinical relevance. Understanding the role of Membrane-bound transcription factor site-2 protease could open doors to potential therapeutic strategies for these genetic disorders, offering hope for targeted treatments.