Focused On-demand Library for Kallikrein-13

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.

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.

Our top-notch dedicated system is used to design specialised libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

Q9UKR3

UPID:

KLK13_HUMAN

Alternative names:

Kallikrein-like protein 4

Alternative UPACC:

Q9UKR3; A7UNK6; Q86VI8; Q9Y433

Background:

Kallikrein-13, also known as Kallikrein-like protein 4, is a member of the kallikrein family. Kallikreins are serine proteases that play crucial roles in various physiological processes, including blood pressure regulation, inflammation, and wound healing. The specific functions of Kallikrein-13 within these processes remain to be fully elucidated, making it a subject of active research.

Therapeutic significance:

Understanding the role of Kallikrein-13 could open doors to potential therapeutic strategies. Its involvement in key physiological processes suggests that modulating its activity could offer new avenues for treating diseases where these processes are dysregulated.