Focused On-demand Library for Mitogen-activated protein kinase 7

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.


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.


We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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
Receptor.AI
 
UPACC
Q13164

UPID:
MK07_HUMAN

ALTERNATIVE NAMES:
Big MAP kinase 1; Extracellular signal-regulated kinase 5

ALTERNATIVE UPACC:
Q13164; Q16634; Q59F50; Q6QLU7; Q7L4P4; Q969G1; Q96G51

BACKGROUND:
The protein Mitogen-activated protein kinase 7, known alternatively as Big MAP kinase 1 or Extracellular signal-regulated kinase 5, engages in key cellular functions such as cell proliferation, differentiation, and survival. It is uniquely activated by MAP2K5, which facilitates its nuclear translocation and subsequent phosphorylation of downstream targets including MEF2C. Its activation pathway is distinct, being Ras-independent and MAP2K5-dependent, highlighting its importance in muscle differentiation, endothelial health, and vascular integrity.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Mitogen-activated protein kinase 7 offers a pathway to uncovering novel therapeutic approaches.

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