Focused On-demand Library for DnaJ homolog subfamily C member 3

Focused On-demand Libraries - Reaxense 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.

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 our associate 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.

Our high-tech, dedicated method is applied to construct targeted 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:

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

Reaxense

upacc

Q13217

UPID:

DNJC3_HUMAN

Alternative names:

Endoplasmic reticulum DNA J domain-containing protein 6; Interferon-induced, double-stranded RNA-activated protein kinase inhibitor; Protein kinase inhibitor of 58 kDa

Alternative UPACC:

Q13217; Q86WT9; Q8N4N2

Background:

DnaJ homolog subfamily C member 3, also known as Endoplasmic reticulum DNA J domain-containing protein 6, plays a crucial role in the unfolded protein response (UPR) during endoplasmic reticulum (ER) stress. It acts as a negative regulator of EIF2AK4/GCN2 kinase activity, preventing phosphorylation of eIF-2-alpha, thus attenuating general protein synthesis under stress conditions. Additionally, it serves as a co-chaperone of HSPA8/HSC70, enhancing its ATPase activity.

Therapeutic significance:

This protein is implicated in a disease characterized by juvenile-onset diabetes, neurodegeneration, ataxia, upper-motor-neuron damage, peripheral neuropathy, hearing loss, and cerebral atrophy. Understanding the role of DnaJ homolog subfamily C member 3 could open doors to potential therapeutic strategies for this complex condition.