AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Dual specificity protein phosphatase 14

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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

O95147

UPID:

DUS14_HUMAN

Alternative names:

MKP-1-like protein tyrosine phosphatase; Mitogen-activated protein kinase phosphatase 6

Alternative UPACC:

O95147

Background:

Dual specificity protein phosphatase 14 (DUSP14), also known as MKP-1-like protein tyrosine phosphatase and Mitogen-activated protein kinase phosphatase 6, plays a crucial role in cellular processes by inactivating MAP kinases. It dephosphorylates key MAP kinases including ERK, JNK, and p38, and negatively regulates TCR signaling through the dephosphorylation of MAP3K7 adapter TAB1.

Therapeutic significance:

Understanding the role of Dual specificity protein phosphatase 14 could open doors to potential therapeutic strategies.

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