Focused On-demand Library for Transmembrane protease serine 11E

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed 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 utilise our cutting-edge, exclusive workflow to develop focused 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 distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages 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.