Focused On-demand Library for Poly(A)-specific ribonuclease PNLDC1

Details

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 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 employ our advanced, specialised process to create targeted 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.


Key features that set our library apart include:


  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.

  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.

  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.

  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

PARTNER
Receptor.AI
 
UPACC
Q8NA58

UPID:
PNDC1_HUMAN

ALTERNATIVE NAMES:
PARN-like domain-containing protein 1; Poly(A)-specific ribonuclease domain-containing protein 1

ALTERNATIVE UPACC:
Q8NA58; Q5TAP7; Q8N7X5

BACKGROUND:
The Poly(A)-specific ribonuclease PNLDC1, with alternative names including PARN-like domain-containing protein 1, is integral to the exonucleolytic degradation of poly(A) tails in mRNAs. This degradation is a key step in the decay of eukaryotic mRNAs, crucial for silencing maternal mRNAs during early development. PNLDC1 also plays a significant role in embryonic stem cell regulation and is vital for the proper execution of spermatogenesis through its involvement in piRNA maturation.

THERAPEUTIC SIGNIFICANCE:
Given PNLDC1's indispensable role in spermatogenesis and its association with Spermatogenic failure 57, a deeper understanding of this protein could unveil new therapeutic avenues. Targeting PNLDC1-related pathways offers promising potential for developing treatments for male infertility, providing hope for affected individuals.

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