Focused On-demand Library for Mitogen-activated protein kinase 14

Details

Focused On-demand Libraries - Receptor.AI 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.


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.


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


 

Fig. 1. The screening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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
Q16539

UPID:
MK14_HUMAN

ALTERNATIVE NAMES:
Cytokine suppressive anti-inflammatory drug-binding protein; MAP kinase MXI2; MAX-interacting protein 2; Mitogen-activated protein kinase p38 alpha; Stress-activated protein kinase 2a

ALTERNATIVE UPACC:
Q16539; A6ZJ92; A8K6P4; B0LPH0; B5TY32; O60776; Q13083; Q14084; Q8TDX0

BACKGROUND:
MAP kinase MXI2, known as Mitogen-activated protein kinase 14, is essential in the MAPK pathway, influencing cellular responses to pro-inflammatory cytokines and physical stress. It phosphorylates a wide range of proteins, activating transcription factors and downstream kinases, thus playing a crucial role in gene expression, mRNA translation, and protein turnover.

THERAPEUTIC SIGNIFICANCE:
Exploring Mitogen-activated protein kinase 14's functions offers a pathway to novel therapeutic approaches. Its central role in inflammation, stress responses, and cell cycle regulation highlights its potential as a target for developing treatments for various pathological conditions.

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