Focused On-demand Library for Eukaryotic translation initiation factor 2-alpha kinase 1

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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.


We use our state-of-the-art dedicated workflow for designing focused 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.


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
Receptor.AI
 
UPACC
Q9BQI3

UPID:
E2AK1_HUMAN

ALTERNATIVE NAMES:
Heme-controlled repressor; Heme-regulated eukaryotic initiation factor eIF-2-alpha kinase; Heme-regulated inhibitor; Hemin-sensitive initiation factor 2-alpha kinase

ALTERNATIVE UPACC:
Q9BQI3; A8K2R2; Q549K6; Q8NBW3; Q9HC02; Q9NYE0; Q9P0V6; Q9P1J5; Q9P2H8; Q9UHG4

BACKGROUND:
The protein Eukaryotic translation initiation factor 2-alpha kinase 1, alternatively named Heme-controlled repressor, is a key sensor and regulator of cellular response to various stresses, including heme deficiency. It modulates protein synthesis by phosphorylating EIF2S1/eIF-2-alpha, facilitating adaptation through the integrated stress response.

THERAPEUTIC SIGNIFICANCE:
Given its involvement in Leukoencephalopathy with motor delay and spasticity, exploring the role of this kinase offers promising therapeutic potential for diseases characterized by abnormal stress responses and protein synthesis regulation.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.


Page 402 of 8789