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

Focused On-demand Libraries - Reaxense 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. Our collaborator, Reaxense, aids in their synthesis and provision.

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 utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.

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

Reaxense

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:

Poly(A)-specific ribonuclease PNLDC1, also known as PARN-like domain-containing protein 1, plays a pivotal role in mRNA decay by degrading poly(A) tails. This process is crucial for the regulation of gene expression in eukaryotic cells, including during oocyte maturation and early embryonic development. PNLDC1's activity is essential for maintaining the balance of stem cell multipotency and is a key player in spermatogenesis, facilitating the processing of pre-piRNAs into mature piRNAs.

Therapeutic significance:

PNLDC1's critical function in spermatogenesis links it to Spermatogenic failure 57, a condition marked by non-obstructive azoospermia. Understanding PNLDC1's role could lead to novel treatments for male infertility, highlighting its potential as a target in therapeutic strategies aimed at restoring fertility.