AI-ACCELERATED DRUG DISCOVERY

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

Available from Reaxense
Predicted by Alphafold

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

Our top-notch dedicated system is used to design specialised libraries for enzymes.

 Fig. 1. The sreening 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

Reaxense

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:

Mitogen-activated protein kinase 7 (MAPK7), also known as Big MAP kinase 1 and Extracellular signal-regulated kinase 5, is pivotal in cellular processes including proliferation, differentiation, and survival. It is activated by MAP2K5, leading to nuclear translocation and phosphorylation of targets like MEF2C. MAPK7's activation via EGF occurs through a Ras-independent, MAP2K5-dependent pathway, playing roles in muscle differentiation, endothelial function, and blood vessel integrity.

Therapeutic significance:

Understanding the role of Mitogen-activated protein kinase 7 could open doors to potential therapeutic strategies.

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