Focused On-demand Library for Mitogen-activated protein kinase 13

Focused On-demand Libraries - Receptor.AI 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.


Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed 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 use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.


 

Fig. 1. The screening 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.


Our library is unique due to several crucial aspects:


  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.

  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.

  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.

  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

PARTNER
Receptor.AI
 
UPACC
O15264

UPID:
MK13_HUMAN

ALTERNATIVE NAMES:
Mitogen-activated protein kinase p38 delta; Stress-activated protein kinase 4

ALTERNATIVE UPACC:
O15264; O14739; O15124; Q5U4A5; Q6FI46; Q9UNU0

BACKGROUND:
The Stress-activated protein kinase 4, or Mitogen-activated protein kinase p38 delta (MAPK13), acts as an essential component of the MAP kinase pathway, influencing cellular responses to stress and extracellular signals. It phosphorylates various substrates, including MAPKAPK2, EEF2K, MAPT, and STMN1, affecting protein translation, cytoskeletal dynamics, gene expression, and cell differentiation. MAPK13's involvement in UV response and MYB degradation underlines its regulatory significance in cellular stress mechanisms.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Stress-activated protein kinase 4 reveals its potential in developing novel therapeutic approaches.

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