Focused On-demand Library for Peroxisomal coenzyme A diphosphatase NUDT7

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.


We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by Reaxense.


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

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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
P0C024

UPID:
NUDT7_HUMAN

ALTERNATIVE NAMES:
Nucleoside diphosphate-linked moiety X motif 7

ALTERNATIVE UPACC:
P0C024; B4DLE5; H3BUB8

BACKGROUND:
The protein Peroxisomal coenzyme A diphosphatase NUDT7, also known as Nucleoside diphosphate-linked moiety X motif 7, is pivotal in the hydrolysis of fatty acyl-CoA molecules. It preferentially targets medium-chain acyl-CoAs and bile acid-CoAs, playing a significant role in maintaining cellular CoA and acyl-CoA balance, particularly within peroxisomes. Additionally, NUDT7 binds to U8 snoRNA and has shown to possess decapping activity for dpCoA-capped RNAs, underscoring its importance in cellular metabolism and RNA processing.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Peroxisomal coenzyme A diphosphatase NUDT7 offers a promising avenue for the development of novel therapeutic approaches. Its critical role in metabolic regulation and potential involvement in peroxisomal processes make it a target of interest for addressing metabolic diseases and enhancing our understanding of cellular homeostasis.

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