Focused On-demand Library for Lysosomal protective protein

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.

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.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

Our top-notch dedicated system is used to design specialised 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

P10619

UPID:

PPGB_HUMAN

Alternative names:

Carboxypeptidase C; Carboxypeptidase L; Cathepsin A; Protective protein cathepsin A; Protective protein for beta-galactosidase

Alternative UPACC:

P10619; B2R798; Q561W6; Q5JZH1; Q96KJ2; Q9BR08; Q9BW68

Background:

The Lysosomal Protective Protein, known as Cathepsin A, Carboxypeptidase C, and Protective Protein for beta-galactosidase, plays a pivotal role in cellular function. It stabilizes and activates beta-galactosidase and neuraminidase, crucial for lysosomal degradation. Additionally, it serves as a carboxypeptidase, expanding its significance in cellular metabolism.

Therapeutic significance:

Galactosialidosis, a lysosomal storage disorder, is directly linked to mutations in the gene encoding this protein. Understanding its function and interaction with beta-galactosidase and neuraminidase opens avenues for targeted therapy, offering hope for managing or curing this debilitating disease.