Focused On-demand Library for ATP-dependent RNA helicase DHX58

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.

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 promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal 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

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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

Q96C10

UPID:

DHX58_HUMAN

Alternative names:

ATP-dependent helicase LGP2; Protein D11Lgp2 homolog; RIG-I-like receptor 3; RIG-I-like receptor LGP2

Alternative UPACC:

Q96C10; Q9HAM6

Background:

ATP-dependent RNA helicase DHX58, also known as LGP2, plays a pivotal role in the body's defense against viral infections. It regulates antiviral signaling pathways initiated by RIGI and IFIH1/MDA5, impacting the innate immune response to a variety of RNA and DNA viruses, including SARS-CoV-2, and bacterial pathogens like Listeria monocytogenes. DHX58 exhibits a dual function, either enhancing or inhibiting antiviral signaling, which may depend on the infecting virus or cell type.

Therapeutic significance:

Understanding the role of ATP-dependent RNA helicase DHX58 could open doors to potential therapeutic strategies.