Focused On-demand Library for Kallikrein-7

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.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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

P49862

UPID:

KLK7_HUMAN

Alternative names:

Serine protease 6; Stratum corneum chymotryptic enzyme

Alternative UPACC:

P49862; A8K0U5; Q8N5N9; Q8NFV7

Background:

Kallikrein-7, also known as Serine protease 6 and Stratum corneum chymotryptic enzyme, plays a crucial role in skin physiology by catalyzing the degradation of intercellular cohesive structures in the skin's cornified layer. This process is vital for the continuous shedding of cells from the skin surface. Kallikrein-7 exhibits specificity for amino acid residues with aromatic side chains in the P1 position and is capable of cleaving insulin chains at specific sites, indicating its potential role in processing inflammatory cytokine precursors.

Therapeutic significance:

Understanding the role of Kallikrein-7 could open doors to potential therapeutic strategies, particularly in skin-related conditions and inflammatory processes. Its unique enzymatic activity makes it a promising target for the development of novel treatments aimed at regulating skin cell turnover and inflammation.