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

Focused On-demand Libraries - Receptor.AI 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 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 employ our advanced, specialised process to create targeted libraries.


 

Fig. 1. The screening 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 is unique due to several crucial aspects:


  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.

  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.

  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.

  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.


PARTNER
Receptor.AI
 
UPACC
Q06609

UPID:
RAD51_HUMAN

ALTERNATIVE NAMES:
RAD51 homolog A

ALTERNATIVE UPACC:
Q06609; B0FXP0; B2R8T6; Q6FHX9; Q6ZNA8; Q9BV60

BACKGROUND:
The RAD51 homolog A is integral to DNA repair through homologous recombination, ensuring genomic stability by facilitating strand exchange and repair template formation. Its recruitment in response to replication stress and role in mitochondrial DNA copy number regulation under oxidative stress conditions further demonstrate its critical cellular functions.

THERAPEUTIC SIGNIFICANCE:
Given RAD51's involvement in Breast cancer, Mirror movements 2, and Fanconi anemia, exploring its function could unveil new therapeutic avenues. Understanding the role of DNA repair protein RAD51 homolog 1 could open doors to potential therapeutic strategies, offering hope for advancements in disease treatment.

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