Focused On-demand Library for Dual specificity protein phosphatase 22

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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

Q9NRW4

UPID:

DUS22_HUMAN

Alternative names:

JNK-stimulatory phosphatase-1; Low molecular weight dual specificity phosphatase 2; Mitogen-activated protein kinase phosphatase x

Alternative UPACC:

Q9NRW4; B4DK56; Q59GW2; Q5VWR2; Q96AR1

Background:

Dual specificity protein phosphatase 22 (DUSP22), also known as JNK-stimulatory phosphatase-1, Low molecular weight dual specificity phosphatase 2, and Mitogen-activated protein kinase phosphatase x, plays a pivotal role in cellular processes by activating the Jnk signaling pathway. This pathway is crucial for cell proliferation, differentiation, and apoptosis.

Therapeutic significance:

Understanding the role of Dual specificity protein phosphatase 22 could open doors to potential therapeutic strategies. Its involvement in key signaling pathways suggests its potential as a target in diseases where these pathways are dysregulated.