Focused On-demand Library for Transmembrane protease serine 11E

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.

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.

We employ our advanced, specialised process to create targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.

Our library stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

Q9UL52

UPID:

TM11E_HUMAN

Alternative names:

Serine protease DESC1; Transmembrane protease serine 11E2

Alternative UPACC:

Q9UL52; A6NL71; Q14DC8; Q6UW31

Background:

Transmembrane protease serine 11E, also known as Serine protease DESC1 and Transmembrane protease serine 11E2, is a protein encoded by the gene with the accession number Q9UL52. It is characterized by its serine protease activity, possessing both gelatinolytic and caseinolytic capabilities, with a preference for Arg in the P1 position. This protein plays a crucial role in various biological processes through its enzymatic functions.

Therapeutic significance:

Understanding the role of Transmembrane protease serine 11E could open doors to potential therapeutic strategies. Its unique enzymatic activities suggest its involvement in critical biological pathways, making it a target of interest for drug discovery efforts aimed at treating diseases where these pathways are dysregulated.