Focused On-demand Library for Interferon-induced, double-stranded RNA-activated protein kinase

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 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.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

Fig. 1. The sreening 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

Reaxense

upacc

P19525

UPID:

E2AK2_HUMAN

Alternative names:

Eukaryotic translation initiation factor 2-alpha kinase 2; Interferon-inducible RNA-dependent protein kinase; P1/eIF-2A protein kinase; Protein kinase RNA-activated; Tyrosine-protein kinase EIF2AK2; p68 kinase

Alternative UPACC:

P19525; A8K3P0; D6W584; E9PC80; Q52M43; Q7Z6F6; Q9UIR4

Background:

Interferon-induced, double-stranded RNA-activated protein kinase, also known as EIF2AK2, plays a pivotal role in the innate immune response to viral infection. It phosphorylates EIF2S1/eIF-2-alpha, leading to a shutdown of protein synthesis, which is crucial for combating viral replication. Additionally, EIF2AK2 is involved in various cellular processes including apoptosis, cell proliferation, and differentiation.

Therapeutic significance:

EIF2AK2's involvement in Leukoencephalopathy and Dystonia 33 highlights its potential as a therapeutic target. Understanding the role of EIF2AK2 could open doors to potential therapeutic strategies for these neurological disorders, offering hope for advancements in treatment.