Focused On-demand Library for Poly(A)-specific ribonuclease PARN

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.


We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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
O95453

UPID:
PARN_HUMAN

ALTERNATIVE NAMES:
Deadenylating nuclease; Deadenylation nuclease; Polyadenylate-specific ribonuclease

ALTERNATIVE UPACC:
O95453; B2RCB3; B4DDG8; B4DSB0; B4DWR4; B4E1H6

BACKGROUND:
The enzyme Poly(A)-specific ribonuclease (PARN) is essential for mRNA degradation, specifically targeting the poly(A) tails. It plays a crucial role in the post-transcriptional regulation of gene expression by mediating the decay of mRNAs containing premature stop codons and destabilizing mRNAs with AU-rich elements. PARN's activity is vital for maintaining mRNA stability and ensuring proper cellular function.

THERAPEUTIC SIGNIFICANCE:
Given its involvement in diseases such as dyskeratosis congenita and telomere-related pulmonary fibrosis, PARN represents a significant target for drug discovery. These conditions, marked by defective telomere maintenance and bone marrow failure, could benefit from therapies modulating PARN's activity. Exploring PARN's therapeutic potential may lead to novel treatments for these life-threatening diseases.

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