Focused On-demand Library for 3'-5' exoribonuclease 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.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. 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 for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.


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
Receptor.AI
 
UPACC
Q8IV48

UPID:
ERI1_HUMAN

ALTERNATIVE NAMES:
3'-5' exonuclease ERI1; Eri-1 homolog; Histone mRNA 3'-end-specific exoribonuclease; Histone mRNA 3'-exonuclease 1; Protein 3'hExo

ALTERNATIVE UPACC:
Q8IV48; A8K4U7; Q9NSX3

BACKGROUND:
The protein 3'-5' exoribonuclease 1, known for its high affinity to replication-dependent histone pre-mRNAs, is crucial in histone mRNA decay, siRNA degradation, and rRNA processing. Its interaction with RNA is characterized by specificity to certain sequences and structural motifs, indicating a sophisticated mechanism of action. This protein's involvement in the fine-tuning of RNA interference and its potential DNA exonuclease activity highlight its multifunctional nature and significance in cellular homeostasis.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of 3'-5' exoribonuclease 1 could open doors to potential therapeutic strategies.

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