Focused On-demand Library for Dual specificity mitogen-activated protein kinase kinase 7

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.


We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by 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 utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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
Receptor.AI
 
UPACC
O14733

UPID:
MP2K7_HUMAN

ALTERNATIVE NAMES:
JNK-activating kinase 2; MAPK/ERK kinase 7; Stress-activated protein kinase kinase 4; c-Jun N-terminal kinase kinase 2

ALTERNATIVE UPACC:
O14733; B2R9S5; D6W659; O14648; O14816; O60452; O60453; Q1PG43; Q8IY10

BACKGROUND:
MAP2K7, recognized as Stress-activated protein kinase kinase 4 and c-Jun N-terminal kinase kinase 2, is essential for activating the JNKs MAPK8/JNK1, MAPK9/JNK2, and MAPK10/JNK3 through phosphorylation. This activation is crucial for the JNK signal transduction pathway, involved in responses to stress and inflammation, highlighting its role in apoptosis via the mitochondrial death signaling pathway.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of MAP2K7 offers a promising avenue for developing novel therapeutic approaches.

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