AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for DNA repair protein RAD51 homolog 2

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

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 utilise our cutting-edge, exclusive workflow to develop focused libraries.

 Fig. 1. The sreening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast 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

O15315

UPID:

RA51B_HUMAN

Alternative names:

RAD51 homolog B; RAD51-like protein 1

Alternative UPACC:

O15315; O60914; O75210; Q3Y4F8; Q6FHX8; Q86SY3; Q86SY4; Q86TR0; Q86U92; Q86U93; Q86U94; Q8N6H4; Q9UPL5

Background:

DNA repair protein RAD51 homolog 2, also known as RAD51 homolog B or RAD51-like protein 1, plays a crucial role in the homologous recombination repair (HRR) pathway of double-stranded DNA breaks. It is involved in DNA replication or repair processes induced by DNA-damaging agents, promoting the assembly of RAD51 nucleoprotein filaments, and is part of the RAD51 paralog protein complex BCDX2, functioning in the BRCA1-BRCA2-dependent HR pathway.

Therapeutic significance:

Understanding the role of DNA repair protein RAD51 homolog 2 could open doors to potential therapeutic strategies.

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