AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for RNA helicase aquarius

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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 top-notch dedicated system is used to design specialised 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

O60306

UPID:

AQR_HUMAN

Alternative names:

Intron-binding protein of 160 kDa

Alternative UPACC:

O60306; A0JP17; A5YKK3; Q2YDX9; Q6IRU8; Q6PIC8

Background:

RNA helicase aquarius, also known as the Intron-binding protein of 160 kDa, plays a crucial role in pre-mRNA splicing as part of the spliceosome complex. It is essential for the linkage between pre-mRNA splicing and snoRNP biogenesis, facilitating the assembly of intron-encoded box C/D small snoRNP. Its ability to bind introns in a sequence-independent manner and its ATP-dependent RNA helicase activity underscore its importance in RNA processing.

Therapeutic significance:

Understanding the role of RNA helicase aquarius could open doors to potential therapeutic strategies. Its pivotal function in RNA processing and splicing mechanisms highlights its potential as a target for therapeutic intervention in diseases where these processes are dysregulated.

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