Focused On-demand Library for Lysosomal protective protein

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.

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.

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

Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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.