AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Mitogen-activated protein kinase 12

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense 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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner 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 use our state-of-the-art dedicated workflow for designing focused 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

P53778

UPID:

MK12_HUMAN

Alternative names:

Extracellular signal-regulated kinase 6; Mitogen-activated protein kinase p38 gamma; Stress-activated protein kinase 3

Alternative UPACC:

P53778; Q14260; Q6IC53; Q99588; Q99672

Background:

Mitogen-activated protein kinase 12 (MAPK12), also known as Extracellular signal-regulated kinase 6, plays a pivotal role in the MAP kinase signal transduction pathway. It is instrumental in cellular responses to extracellular stimuli, including pro-inflammatory cytokines and physical stress, leading to the activation of transcription factors such as ELK1 and ATF2. MAPK12's ability to phosphorylate a wide range of proteins, including downstream kinases like MAPKAPK2, underscores its significance in cellular signaling.

Therapeutic significance:

Understanding the role of Mitogen-activated protein kinase 12 could open doors to potential therapeutic strategies.

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