Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 Reaxense.


The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.


We employ our advanced, specialised process to create targeted libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.


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
Receptor.AI
 
UPACC
Q99638

UPID:
RAD9A_HUMAN

ALTERNATIVE NAMES:
DNA repair exonuclease rad9 homolog A

ALTERNATIVE UPACC:
Q99638; B2RCZ8; Q6FI29; Q96C41

BACKGROUND:
The protein RAD9A, known for its alternative name DNA repair exonuclease rad9 homolog A, is integral to the 9-1-1 complex involved in DNA damage response. It aids in DNA repair by increasing the efficiency of proteins like DNA polymerase beta, endonuclease FEN1, and DNA ligase I in the long-patch base excision repair pathway. Additionally, RAD9A is crucial for recruiting RHNO1 to double-stranded breaks during the S phase, showcasing its vital role in maintaining genomic stability.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Cell cycle checkpoint control protein RAD9A could open doors to potential therapeutic strategies.

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