AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Ribonuclease H2 subunit A

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 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 use our state-of-the-art dedicated workflow for designing focused 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

O75792

UPID:

RNH2A_HUMAN

Alternative names:

Aicardi-Goutieres syndrome 4 protein; RNase H(35); Ribonuclease HI large subunit; Ribonuclease HI subunit A

Alternative UPACC:

O75792; B2RCY1; Q96F11

Background:

Ribonuclease H2 subunit A, also known as Aicardi-Goutieres syndrome 4 protein, plays a pivotal role in DNA replication. It specifically degrades the RNA of RNA:DNA hybrids, facilitating the removal of RNA primers during DNA replication and excising single ribonucleotides from DNA:RNA duplexes.

Therapeutic significance:

Linked to Aicardi-Goutieres syndrome 4, a severe neurological disorder, understanding Ribonuclease H2 subunit A's function could pave the way for innovative treatments. Its role in DNA replication and repair mechanisms positions it as a potential target for therapeutic intervention.

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