Focused On-demand Library for DNA repair protein RAD51 homolog 1

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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.

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 distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

Q06609

UPID:

RAD51_HUMAN

Alternative names:

RAD51 homolog A

Alternative UPACC:

Q06609; B0FXP0; B2R8T6; Q6FHX9; Q6ZNA8; Q9BV60

Background:

DNA repair protein RAD51 homolog 1 plays a pivotal role in homologous recombination, a critical mechanism for DNA repair and genomic stability. It binds to single-stranded DNA, forming nucleoprotein filaments essential for DNA repair processes. RAD51's involvement in resolving stalled replication forks underscores its importance in maintaining cellular integrity.

Therapeutic significance:

RAD51's association with diseases such as Breast cancer, Mirror movements 2, and Fanconi anemia highlights its therapeutic potential. Targeting RAD51-mediated pathways could offer novel strategies for treating these conditions, emphasizing the importance of understanding its biological functions.