Focused On-demand Library for Single-strand selective monofunctional uracil DNA glycosylase

Focused On-demand Libraries - Reaxense 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.

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.

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.

Our high-tech, dedicated method is applied to construct targeted 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.

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

Q53HV7

UPID:

SMUG1_HUMAN

Alternative names:

Alternative UPACC:

Q53HV7; A8K2K9; O95862; Q0D2M0; Q8NB71; Q9BWC8

Background:

The Single-strand selective monofunctional uracil DNA glycosylase plays a pivotal role in DNA repair mechanisms. It specifically recognizes and excises damaged bases such as uracil, 5-formyluracil, and other uracil derivatives from DNA, thereby preventing mutations and maintaining genomic integrity. Its preference for single-stranded DNA and its salt-dependent activity underscore its specialized function in base excision repair pathways.

Therapeutic significance:

Understanding the role of Single-strand selective monofunctional uracil DNA glycosylase could open doors to potential therapeutic strategies. Its crucial function in DNA repair presents it as a promising target for developing treatments aimed at enhancing DNA repair mechanisms, potentially offering new avenues for cancer therapy and genetic disorders where DNA repair is compromised.