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

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.

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.

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 employ our advanced, specialised process to create targeted 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.

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

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:

Dual specificity protein phosphatase 13B, also known as Dual specificity phosphatase SKRP4 and Testis- and skeletal-muscle-specific DSP, is a unique enzyme that dephosphorylates MAPK8/JNK and MAPK14/p38. Unlike other phosphatases, it does not target MAPK1/ERK2. This protein exhibits intrinsic phosphatase activity towards both phospho-seryl/threonyl and -tyrosyl residues, showcasing similar specific activities in vitro.

Therapeutic significance:

Understanding the role of Dual specificity protein phosphatase 13B could open doors to potential therapeutic strategies. Its ability to selectively dephosphorylate key signaling molecules places it at a pivotal point in cellular signaling pathways, making it a compelling target for drug discovery efforts aimed at modulating these pathways for therapeutic benefit.