Focused On-demand Library for Kallikrein-8

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.

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 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.

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

O60259

UPID:

KLK8_HUMAN

Alternative names:

Neuropsin; Ovasin; Serine protease 19; Serine protease TADG-14; Tumor-associated differentially expressed gene 14 protein

Alternative UPACC:

O60259; Q5V9X1; Q5V9X2; Q8IW69; Q9HCB3; Q9NR68; Q9NR69; Q9UIL9; Q9UQ47

Background:

Kallikrein-8, known by alternative names such as Neuropsin and Serine protease 19, plays a pivotal role in various physiological processes. It degrades proteins like casein and fibrinogen, and is involved in neural activity, synaptic plasticity, and memory acquisition. Its ability to cleave L1CAM and induce neurite outgrowth underscores its significance in neural development and regeneration.

Therapeutic significance:

Understanding the role of Kallikrein-8 could open doors to potential therapeutic strategies. Its involvement in critical processes such as synaptic plasticity and memory acquisition highlights its potential as a target for treating neurological disorders and enhancing neural repair mechanisms.