Focused On-demand Library for Dual specificity protein phosphatase 13B

Details

Focused On-demand Libraries - Receptor.AI 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. Reaxense aids in their synthesis and provision.


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.


Our top-notch dedicated system is used to design specialised libraries for enzymes.


 

Fig. 1. The screening 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.


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
Receptor.AI
 
UPACC
Q9UII6

UPID:
DS13B_HUMAN

ALTERNATIVE NAMES:
Dual specificity phosphatase SKRP4; Testis- and skeletal-muscle-specific DSP

ALTERNATIVE UPACC:
Q9UII6; A0A024QZR6; A8K776; A8K782; B3KPY1; B3KXT0; B4DUK0; Q5JSC6; Q6IAR0; Q96GC2; U3KQ82

BACKGROUND:
The enzyme Dual specificity protein phosphatase 13B, with alternative names Dual specificity phosphatase SKRP4 and Testis- and skeletal-muscle-specific DSP, stands out for its selective action on MAPK8/JNK and MAPK14/p38, sparing MAPK1/ERK2. It possesses the rare capability to act on both phospho-seryl/threonyl and -tyrosyl residues, demonstrating comparable activities in vitro.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Dual specificity protein phosphatase 13B is crucial for unlocking novel therapeutic avenues. Its selective dephosphorylation of critical signaling proteins underscores its potential as a strategic target in the development of new drugs designed to regulate cellular signaling for therapeutic purposes.

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