Focused On-demand Library for Cathepsin G

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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

P08311

UPID:

CATG_HUMAN

Alternative names:

Alternative UPACC:

P08311; Q6IBJ6; Q9UCA5; Q9UCU6

Background:

Cathepsin G, a serine protease with trypsin- and chymotrypsin-like specificity, plays a pivotal role in various biological processes. It exhibits antibacterial activity, influences platelet recruitment and activation via the F2RL3/PAR4 receptor, and modulates immune cell functions. This protein prefers specific amino acids at the cleavage site, showing a unique substrate specificity. It also processes several key proteins, including complement C3, vimentin, and coagulation factors, highlighting its versatile role in physiological and pathological conditions.

Therapeutic significance:

Understanding the role of Cathepsin G could open doors to potential therapeutic strategies. Its involvement in immune cell modulation, antibacterial defense, and coagulation presents it as a target for developing treatments for immune, infectious, and coagulation disorders.