Focused On-demand Library for Tyrosine-protein phosphatase non-receptor type 2

Details

Focused On-demand Libraries - Receptor.AI 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. Reaxense helps in synthesizing and delivering these compounds.


In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best 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 screening 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
Receptor.AI
 
UPACC
P17706

UPID:
PTN2_HUMAN

ALTERNATIVE NAMES:
T-cell protein-tyrosine phosphatase

ALTERNATIVE UPACC:
P17706; A8K955; A8MXU3; K7ENG3; Q96AU5; Q96HR2

BACKGROUND:
The Tyrosine-protein phosphatase non-receptor type 2, known alternatively as T-cell protein-tyrosine phosphatase, is integral in negative regulation of numerous signaling pathways. It modulates the activity of various kinases and receptors, playing a significant role in immune response, hematopoiesis, cell growth, and glucose regulation. Its ability to dephosphorylate proteins like EGFR, INSR, and PDGFR underscores its importance in cellular signaling.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Tyrosine-protein phosphatase non-receptor type 2 holds promise for developing novel therapeutic approaches. Given its regulatory role in critical signaling pathways and disease mechanisms, targeting this protein could lead to breakthroughs in treating autoimmune diseases, metabolic syndromes, and proliferative disorders.

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