Focused On-demand Library for Dual specificity mitogen-activated protein kinase kinase 1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 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 method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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

Q02750

UPID:

MP2K1_HUMAN

Alternative names:

ERK activator kinase 1; MAPK/ERK kinase 1

Alternative UPACC:

Q02750

Background:

Dual specificity mitogen-activated protein kinase kinase 1, also known as ERK activator kinase 1 or MAPK/ERK kinase 1, plays a pivotal role in the MAP kinase signal transduction pathway. It is instrumental in mediating the effects of extracellular signals such as growth factors, leading to diverse biological functions including cell growth and differentiation.

Therapeutic significance:

The protein's involvement in Cardiofaciocutaneous syndrome 3 and isolated Melorheostosis highlights its clinical significance. Understanding the role of Dual specificity mitogen-activated protein kinase kinase 1 could open doors to potential therapeutic strategies for these conditions.