Focused On-demand Library for Interferon-induced helicase C domain-containing protein 1

Focused On-demand Libraries - Reaxense Collaboration

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.

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.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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

Q9BYX4

UPID:

IFIH1_HUMAN

Alternative names:

Clinically amyopathic dermatomyositis autoantigen 140 kDa; Helicase with 2 CARD domains; Interferon-induced with helicase C domain protein 1; Melanoma differentiation-associated protein 5; Murabutide down-regulated protein; RIG-I-like receptor 2; RNA helicase-DEAD box protein 116

Alternative UPACC:

Q9BYX4; Q2NKL6; Q6DC96; Q86X56; Q96MX8; Q9H3G6

Background:

Interferon-induced helicase C domain-containing protein 1, also known as MDA5, plays a pivotal role in the innate immune response. It acts as a cytoplasmic sensor of viral nucleic acids, triggering antiviral responses including the induction of type I interferons and pro-inflammatory cytokines. MDA5 detects a wide range of viruses, from Picornaviridae family members to coronaviruses like SARS-CoV-2, highlighting its critical role in viral infection defense mechanisms.

Therapeutic significance:

MDA5's involvement in diseases such as Type 1 diabetes mellitus, Aicardi-Goutieres syndrome, Singleton-Merten syndrome, and Immunodeficiency 95 underscores its therapeutic potential. Understanding the role of MDA5 could open doors to potential therapeutic strategies, offering hope for treatments targeting these conditions by modulating the innate immune response.