AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for m7GpppN-mRNA hydrolase

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.

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 effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

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.

Several key aspects differentiate our library:

  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

Q8IU60

UPID:

DCP2_HUMAN

Alternative names:

Nucleoside diphosphate-linked moiety X motif 20; mRNA-decapping enzyme 2

Alternative UPACC:

Q8IU60; C9J778; Q6P2D4; Q7Z5W5; Q8NBG5

Background:

The m7GpppN-mRNA hydrolase, also known as mRNA-decapping enzyme 2, is a pivotal decapping metalloenzyme. It catalyzes the removal of the 7-methyl guanine cap from mRNAs, a critical step for mRNA degradation and turnover. This enzyme's activity is essential for normal mRNA decay and nonsense-mediated mRNA decay, highlighting its role in gene expression regulation.

Therapeutic significance:

Understanding the role of m7GpppN-mRNA hydrolase could open doors to potential therapeutic strategies. Its crucial function in mRNA turnover and stability positions it as a key target for modulating gene expression, offering avenues for intervention in diseases where gene expression is dysregulated.

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