Focused On-demand Library for Brain-specific serine protease 4

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

We use our state-of-the-art dedicated workflow for designing 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

Q9GZN4

UPID:

BSSP4_HUMAN

Alternative names:

Serine protease 22; Serine protease 26; Tryptase epsilon

Alternative UPACC:

Q9GZN4; O43342; Q6UXE0

Background:

Brain-specific serine protease 4, also known as Serine protease 22, Serine protease 26, and Tryptase epsilon, exhibits a unique preference for cleaving the synthetic substrate H-D-Leu-Thr-Arg-pNA over tosyl-Gly-Pro-Arg-pNA. This specificity highlights its distinct enzymatic activity within the serine protease family, suggesting a specialized role in biological processes.

Therapeutic significance:

Understanding the role of Brain-specific serine protease 4 could open doors to potential therapeutic strategies. Its unique substrate specificity indicates a precise biological function, which, once elucidated, may reveal novel targets for drug development.