AI-ACCELERATED DRUG DISCOVERY

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

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best 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 employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of 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

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.

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