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.
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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9P2K8
UPID:
E2AK4_HUMAN
Alternative names:
Eukaryotic translation initiation factor 2-alpha kinase 4; GCN2-like protein
Alternative UPACC:
Q9P2K8; C9JEC4; Q69YL7; Q6DC97; Q96GN6; Q9H5K1; Q9NSQ3; Q9NSZ5; Q9UJ56
Background:
The eIF-2-alpha kinase GCN2, also known as Eukaryotic translation initiation factor 2-alpha kinase 4 or GCN2-like protein, is a metabolic-stress sensing protein kinase. It plays a crucial role in phosphorylating EIF2S1/eIF-2-alpha under conditions of low amino acid availability, initiating the integrated stress response (ISR) for adaptation to amino acid starvation. This kinase is involved in various cellular processes, including cell cycle arrest, synaptic plasticity, neurite outgrowth inhibition, and proapoptotic responses to glucose deprivation.
Therapeutic significance:
Pulmonary venoocclusive disease 2, an autosomal recessive disorder characterized by severe pulmonary hypertension, is linked to variants affecting the GCN2 gene. Understanding the role of eIF-2-alpha kinase GCN2 could open doors to potential therapeutic strategies for this devastating condition.