AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Protein-tyrosine sulfotransferase 2

Available from Reaxense
Predicted by Alphafold

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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 use our state-of-the-art dedicated workflow for designing 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.

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

O60704

UPID:

TPST2_HUMAN

Alternative names:

Tyrosylprotein sulfotransferase 2

Alternative UPACC:

O60704; B3KQA7; Q6FI98; Q9H0V4

Background:

Protein-tyrosine sulfotransferase 2, alternatively known as Tyrosylprotein sulfotransferase 2, plays a crucial role in post-translational modifications by catalyzing the O-sulfation of tyrosine residues within acidic motifs of polypeptides. This process utilizes 3'-phosphoadenylyl sulfate (PAPS) as a cosubstrate, highlighting its significance in protein function and signaling pathways.

Therapeutic significance:

Understanding the role of Protein-tyrosine sulfotransferase 2 could open doors to potential therapeutic strategies. Its involvement in critical post-translational modifications suggests its potential as a target in diseases where these processes are dysregulated.

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