AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for DNA repair protein RAD51 homolog 3

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.

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 top-notch dedicated system is used to design specialised libraries.

 Fig. 1. The sreening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.

Our library stands out due to several important features:

  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

O43502

UPID:

RA51C_HUMAN

Alternative names:

RAD51 homolog C; RAD51-like protein 2

Alternative UPACC:

O43502; O43503; Q3B783

Background:

DNA repair protein RAD51 homolog 3, also known as RAD51C, plays a pivotal role in the homologous recombination (HR) pathway of DNA repair, crucial for maintaining genomic stability. It is involved in the repair of double-stranded DNA breaks, a critical process for preventing mutations that could lead to cancer. RAD51C is part of the RAD51 paralog protein complexes BCDX2 and CX3, which facilitate different stages of the DNA repair process.

Therapeutic significance:

RAD51C is directly linked to diseases such as Fanconi anemia complementation group O and familial breast-ovarian cancer, highlighting its critical role in DNA repair mechanisms. Understanding the function of RAD51C could lead to breakthroughs in therapeutic strategies for these conditions, offering hope for patients with a genetic predisposition to cancer.

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