Focused On-demand Library for DNA dC->dU-editing enzyme APOBEC-3H

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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.







Alternative names:

APOBEC-related protein 10; Apolipoprotein B mRNA-editing enzyme catalytic polypeptide-like 3H

Alternative UPACC:

Q6NTF7; B0QYP0; B0QYP1; B7TQM5; E9PF38; M4W6S4; Q5JYL9; Q6IC87


The DNA dC->dU-editing enzyme APOBEC-3H, also known as APOBEC-related protein 10 and Apolipoprotein B mRNA-editing enzyme catalytic polypeptide-like 3H, plays a crucial role in inhibiting retrovirus replication and retrotransposon mobility. It achieves this through both deaminase-dependent and independent mechanisms, effectively inducing G-to-A hypermutations in viral DNA and exerting antiretroviral effects.

Therapeutic significance:

Understanding the role of DNA dC->dU-editing enzyme APOBEC-3H could open doors to potential therapeutic strategies.

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