Focused On-demand Library for Tyrosine-protein phosphatase non-receptor type 23

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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 employ our advanced, specialised process to create targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

Q9H3S7

UPID:

PTN23_HUMAN

Alternative names:

His domain-containing protein tyrosine phosphatase; Protein tyrosine phosphatase TD14

Alternative UPACC:

Q9H3S7; A8K0D7; Q7KZF8; Q8N6Z5; Q9BSR5; Q9P257; Q9UG03; Q9UMZ4

Background:

Tyrosine-protein phosphatase non-receptor type 23, also known as His domain-containing protein tyrosine phosphatase and Protein tyrosine phosphatase TD14, is pivotal in endocytic ubiquitinated cargo sorting into multivesicular bodies through its interaction with the ESCRT-I complex. It serves as a negative regulator of Ras-mediated mitogenic activity and plays a crucial role in ciliogenesis.

Therapeutic significance:

This protein is linked to the neurodevelopmental disorder and structural brain anomalies with or without seizures and spasticity, a condition marked by developmental delays, brain abnormalities, and potential early mortality. Understanding the role of Tyrosine-protein phosphatase non-receptor type 23 could open doors to potential therapeutic strategies.