Focused On-demand Library for DNA polymerase iota

Details

Focused On-demand Libraries - Receptor.AI 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.


We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. 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 screening 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
Receptor.AI
 
UPACC
Q9UNA4

UPID:
POLI_HUMAN

ALTERNATIVE NAMES:
Eta2; RAD30 homolog B

ALTERNATIVE UPACC:
Q9UNA4; Q8N590; Q9H0S1; Q9NYH6

BACKGROUND:
DNA polymerase iota is a specialized enzyme involved in the DNA repair process, specifically in translesion synthesis where it bypasses lesions that stall high-fidelity polymerases. It demonstrates a unique preference for Hoogsteen base-pairing and has a variable insertion fidelity, which is crucial for its role in error-prone repair and possibly in the hypermutation of immunoglobulin genes.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of DNA polymerase iota offers promising avenues for developing novel therapeutic approaches aimed at improving DNA repair fidelity and addressing diseases linked to DNA repair defects.

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