Focused On-demand Library for Tyrosine-protein phosphatase non-receptor type 14

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.

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 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.

We utilise our cutting-edge, exclusive workflow to develop 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

Q15678

UPID:

PTN14_HUMAN

Alternative names:

Protein-tyrosine phosphatase pez

Alternative UPACC:

Q15678; Q5VSI0

Background:

Tyrosine-protein phosphatase non-receptor type 14, also known as Protein-tyrosine phosphatase pez, plays a pivotal role in various cellular processes including lymphangiogenesis, cell adhesion, migration, and growth. It is instrumental in regulating TGF-beta gene expression, influencing epithelial-mesenchymal transition, and modulating beta-catenin dephosphorylation. This protein acts as a negative regulator of YAP, a key component of the hippo pathway, and may function as a tumor suppressor.

Therapeutic significance:

Linked to Choanal atresia and lymphedema, Tyrosine-protein phosphatase non-receptor type 14's involvement in this disease highlights its potential as a target for therapeutic intervention. Understanding its role could open doors to novel treatments for conditions stemming from its dysfunction.