Focused On-demand Library for Endonuclease 8-like 3

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.


We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by Reaxense.


Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.


We utilise our cutting-edge, exclusive workflow to develop 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
Q8TAT5

UPID:
NEIL3_HUMAN

ALTERNATIVE NAMES:
DNA glycosylase FPG2; DNA glycosylase/AP lyase Neil3; Endonuclease VIII-like 3; Nei-like protein 3

ALTERNATIVE UPACC:
Q8TAT5; Q2PPJ3; Q8NG51; Q9NV95

BACKGROUND:
The protein Endonuclease VIII-like 3, with alternative names such as DNA glycosylase FPG2 and Neil3, is integral to the DNA damage response. It specializes in recognizing and initiating the repair of specific lesions within single-stranded DNA, including spiroiminodihydantoin and guanidinohydantoin, among others. Its unique ability to mediate DNA glycosylase activity and cleave N-glycosyl bonds without causing double-strand breaks is crucial for maintaining genomic stability, especially under conditions of replication stress. This enzyme's activity highlights its importance in the complex network of DNA repair pathways.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of DNA glycosylase/AP lyase Neil3 could open doors to potential therapeutic strategies.

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