Focused On-demand Library for Tyrosine-protein phosphatase non-receptor type 11

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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

Q06124

UPID:

PTN11_HUMAN

Alternative names:

Protein-tyrosine phosphatase 1D; Protein-tyrosine phosphatase 2C; SH-PTP2; SH-PTP3

Alternative UPACC:

Q06124; A8K1D9; Q96HD7

Background:

Tyrosine-protein phosphatase non-receptor type 11, also known as Protein-tyrosine phosphatase 1D, Protein-tyrosine phosphatase 2C, SH-PTP2, and SH-PTP3, plays a pivotal role in signal transduction from the cell surface to the nucleus. It acts downstream of various receptor and cytoplasmic protein tyrosine kinases, positively regulating the MAPK signal transduction pathway. This protein is involved in the dephosphorylation of several key proteins including GAB1, ARHGAP35, EGFR, ROCK2, CDC73, SOX9, and NEDD9/CAS-L, influencing various cellular processes.

Therapeutic significance:

Tyrosine-protein phosphatase non-receptor type 11 is implicated in several diseases such as LEOPARD syndrome 1, Noonan syndrome 1, juvenile myelomonocytic leukemia, and metachondromatosis. These associations highlight its critical role in disease mechanisms and underscore the potential of targeting this protein for therapeutic interventions in these genetic disorders.