Focused On-demand Library for Antiviral innate immune response receptor RIG-I

Focused On-demand Libraries - Reaxense 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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated 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.

We employ our advanced, specialised process to create targeted libraries for receptors.

Fig. 1. The sreening workflow of Receptor.AI

It features thorough molecular simulations of the receptor within its native membrane environment, complemented by ensemble virtual screening that considers its conformational mobility. For dimeric or oligomeric receptors, the full functional complex is constructed, and tentative binding sites are determined on and between the subunits to cover the entire spectrum of potential mechanisms of action.

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

O95786

UPID:

RIGI_HUMAN

Alternative names:

ATP-dependent RNA helicase DDX58; DEAD box protein 58; RIG-I-like receptor 1; RNA sensor RIG-I; Retinoic acid-inducible gene 1 protein; Retinoic acid-inducible gene I protein

Alternative UPACC:

O95786; A2RU81; Q5HYE1; Q5VYT1; Q9NT04

Background:

The Antiviral innate immune response receptor RIG-I, also known as ATP-dependent RNA helicase DDX58, plays a pivotal role in the innate immune system. It detects viral RNAs in the cytoplasm, triggering a signaling cascade that results in the production of type I interferons and pro-inflammatory cytokines. This receptor's ability to sense both positive and negative strand RNA viruses, including influenza, hepatitis C, and SARS-CoV-2, underscores its critical function in antiviral defense.

Therapeutic significance:

RIG-I's involvement in Singleton-Merten syndrome 2, characterized by aortic calcification and skeletal abnormalities, highlights its potential as a therapeutic target. Understanding the role of RIG-I could open doors to potential therapeutic strategies for treating viral infections and associated immune disorders.