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

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.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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

Q13332

UPID:

PTPRS_HUMAN

Alternative names:

Receptor-type tyrosine-protein phosphatase sigma

Alternative UPACC:

Q13332; O75255; O75870; Q15718; Q16341; Q2M3R7

Background:

Receptor-type tyrosine-protein phosphatase S (PTPRS) serves as a cell surface receptor that interacts with glycosaminoglycans, playing a pivotal role in brain development and neurite outgrowth regulation. It functions by binding to chondroitin sulfate and heparan sulfate proteoglycans, influencing PTPRS oligomerization and neurite extension in opposite manners. This protein is essential for the proper development of the pituitary gland and olfactory bulb, acting as a tyrosine phosphatase to mediate dephosphorylation of key signaling molecules.

Therapeutic significance:

Understanding the role of Receptor-type tyrosine-protein phosphatase S could open doors to potential therapeutic strategies.