AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Matrin-3

Available from Reaxense
Predicted by Alphafold

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.

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.

Our top-notch dedicated system is used to design specialised libraries.

 Fig. 1. The sreening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.

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

P43243

UPID:

MATR3_HUMAN

Alternative names:

-

Alternative UPACC:

P43243; B7ZAV5; D3DQC3; Q9UHW0; Q9UQ27

Background:

Matrin-3, encoded by the gene with accession number P43243, is implicated in various cellular processes, including transcription regulation and the formation of the internal fibrogranular network. It interacts with nuclear matrix proteins and plays a pivotal role in the nuclear retention of defective RNAs. Matrin-3 is also involved in the innate immune response against DNA viruses by participating in the HDP-RNP complex, crucial for IRF3 phosphorylation through the cGAS-STING pathway. Additionally, it binds to m6A-containing mRNAs, influencing MYC stability and may interact with specific miRNA hairpins.

Therapeutic significance:

Matrin-3's association with Amyotrophic lateral sclerosis 21, a neurodegenerative disorder characterized by muscle weakness and respiratory failure, underscores its potential as a target for therapeutic intervention. Understanding the role of Matrin-3 could open doors to potential therapeutic strategies.

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