Focused On-demand Library for Dual specificity protein phosphatase 4

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.

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.

Our top-notch dedicated system is used to design specialised 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

Q13115

UPID:

DUS4_HUMAN

Alternative names:

Dual specificity protein phosphatase hVH2; Mitogen-activated protein kinase phosphatase 2

Alternative UPACC:

Q13115; B2RBU5; D3DSU4; G5E930; Q13524

Background:

Dual specificity protein phosphatase 4, also known as Dual specificity protein phosphatase hVH2 and Mitogen-activated protein kinase phosphatase 2, plays a pivotal role in cellular signaling by dephosphorylating Thr and Tyr residues on MAP kinases ERK1 and ERK2. This regulatory mechanism is crucial for mitogenic signal transduction, influencing cell growth and differentiation.

Therapeutic significance:

Understanding the role of Dual specificity protein phosphatase 4 could open doors to potential therapeutic strategies. Its critical function in regulating key signaling pathways offers a promising target for modulating cellular processes involved in various diseases.