Focused On-demand Library for DNA polymerase iota

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.

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.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We utilise our cutting-edge, exclusive workflow to develop 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.

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

Q9UNA4

UPID:

POLI_HUMAN

Alternative names:

Eta2; RAD30 homolog B

Alternative UPACC:

Q9UNA4; Q8N590; Q9H0S1; Q9NYH6

Background:

DNA polymerase iota, known alternatively as Eta2 or RAD30 homolog B, plays a crucial role in DNA repair, particularly in error-prone translesion synthesis. This unique enzyme favors Hoogsteen base-pairing and exhibits distinct fidelity depending on the template, inserting the correct base opposite an adenosine template with high fidelity, while showing lower fidelity and efficiency opposite a thymidine template.

Therapeutic significance:

Understanding the role of DNA polymerase iota could open doors to potential therapeutic strategies, especially in enhancing the precision of DNA repair mechanisms and potentially targeting conditions where DNA repair is compromised.