Focused On-demand Library for Dual specificity protein phosphatase 9

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

Q99956

UPID:

DUS9_HUMAN

Alternative names:

Mitogen-activated protein kinase phosphatase 4

Alternative UPACC:

Q99956; D3DWU5

Background:

Dual specificity protein phosphatase 9 (DUSP9), also known as Mitogen-activated protein kinase phosphatase 4, plays a crucial role in cellular processes by inactivating MAP kinases, specifically targeting the ERK family. This protein's ability to regulate MAP kinases positions it as a key modulator in cell signaling pathways, influencing cell growth, differentiation, and response to external stress.

Therapeutic significance:

Understanding the role of Dual specificity protein phosphatase 9 could open doors to potential therapeutic strategies. Its pivotal function in MAP kinase signaling pathways suggests its involvement in cellular processes that are often dysregulated in diseases. Targeting DUSP9 could provide a novel approach to modulate these pathways in disease contexts.