AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for N-glycosylase/DNA lyase

Available from Reaxense
Predicted by Alphafold

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.

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 our associate Reaxense.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We use our state-of-the-art dedicated workflow for designing focused libraries.

 Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.

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

O15527

UPID:

OGG1_HUMAN

Alternative names:

-

Alternative UPACC:

O15527; A8K1E3; O00390; O00670; O00705; O14876; O95488; P78554; Q9BW42; Q9UIK0; Q9UIK1; Q9UIK2; Q9UL34; Q9Y2C0; Q9Y2C1; Q9Y6C3; Q9Y6C4

Background:

The N-glycosylase/DNA lyase plays a pivotal role in cellular defense mechanisms through its DNA repair enzyme activity, specifically targeting and excising 8-oxoG residues and various forms of damaged DNA. This protein's beta-lyase activity further enhances its function by nicking DNA adjacent to lesions, crucial for maintaining genomic integrity.

Therapeutic significance:

Given its involvement in Renal cell carcinoma, particularly through gene variants affecting its expression or function, the N-glycosylase/DNA lyase represents a promising target for therapeutic intervention. Understanding its role could pave the way for novel treatments for this heterogeneous group of carcinomas, offering hope for improved patient outcomes.

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