AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Dual specificity protein phosphatase 19

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

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

 Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.

Several key aspects differentiate our library:

  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

Q8WTR2

UPID:

DUS19_HUMAN

Alternative names:

Dual specificity phosphatase TS-DSP1; Low molecular weight dual specificity phosphatase 3; Protein phosphatase SKRP1; Stress-activated protein kinase pathway-regulating phosphatase 1

Alternative UPACC:

Q8WTR2; B2RA79; Q547H4; Q8WYN4

Background:

Dual specificity protein phosphatase 19 (DUSP19), also known as Dual specificity phosphatase TS-DSP1, Low molecular weight dual specificity phosphatase 3, Protein phosphatase SKRP1, and Stress-activated protein kinase pathway-regulating phosphatase 1, exhibits a unique ability to dephosphorylate both Ser/Thr and Tyr residues in proteins. This enzymatic activity positions DUSP19 as a critical regulator in cellular signaling pathways, influencing cell growth, differentiation, and stress responses.

Therapeutic significance:

Understanding the role of Dual specificity protein phosphatase 19 could open doors to potential therapeutic strategies. Its pivotal function in modulating key signaling pathways suggests that targeting DUSP19 could offer novel approaches for the treatment of diseases where these pathways are dysregulated.

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