Focused On-demand Library for Receptor-type tyrosine-protein phosphatase O

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

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

Q16827

UPID:

PTPRO_HUMAN

Alternative names:

Glomerular epithelial protein 1; Protein tyrosine phosphatase U2

Alternative UPACC:

Q16827; A0AV39; Q13101; Q8IYG3; Q9UBF0; Q9UBT5

Background:

Receptor-type tyrosine-protein phosphatase O, also known as Glomerular epithelial protein 1 and Protein tyrosine phosphatase U2, plays a crucial role in kidney function. It exhibits tyrosine phosphatase activity, influencing podocyte structure and function, thereby regulating the glomerular pressure/filtration rate relationship.

Therapeutic significance:

Linked to Nephrotic syndrome 6, a severe renal disorder marked by proteinuria and potential progression to end-stage renal failure, this protein's gene variants are pivotal in disease manifestation. Understanding its role could lead to novel therapeutic strategies for managing steroid-resistant forms of the syndrome.