Focused On-demand Library for Poly(A) RNA polymerase, mitochondrial

Details

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.


We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.


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


 

Fig. 1. The screening 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.


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
Q9NVV4

UPID:
PAPD1_HUMAN

ALTERNATIVE NAMES:
PAP-associated domain-containing protein 1; Polynucleotide adenylyltransferase; Terminal uridylyltransferase 1; mtPAP

ALTERNATIVE UPACC:
Q9NVV4; D3DRX0; Q659E3; Q6P7E5; Q9HA74

BACKGROUND:
The mitochondrial Poly(A) RNA polymerase, known by alternative names such as Terminal uridylyltransferase 1 and mtPAP, is pivotal in mitochondrial gene expression. It catalyzes the addition of the 3' poly(A) tail to mitochondrial RNA, a key step in RNA stability and translation efficiency. Beyond its primary role, mtPAP is involved in histone mRNA degradation, indicating its influence on gene expression extends beyond mitochondria.

THERAPEUTIC SIGNIFICANCE:
Given its critical role in mitochondrial mRNA maturation and its link to Spastic ataxia 4, autosomal recessive, mtPAP represents a significant target for drug discovery. The protein's involvement in a neurodegenerative disease caused by mitochondrial mRNA processing defects highlights the potential for developing therapies that correct these molecular abnormalities, offering hope for patients with mitochondrial disorders.

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