Focused On-demand Library for Dehydrodolichyl diphosphate synthase complex subunit NUS1

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.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by Reaxense.


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.


Our top-notch dedicated system is used to design specialised 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
Q96E22

UPID:
NGBR_HUMAN

ALTERNATIVE NAMES:
Cis-prenyltransferase subunit NgBR; Nogo-B receptor; Nuclear undecaprenyl pyrophosphate synthase 1 homolog

ALTERNATIVE UPACC:
Q96E22; B2RWQ4; O00251

BACKGROUND:
The protein NUS1, known alternatively as Nogo-B receptor, is integral to the synthesis of long-chain polyprenols and the regulation of glycosylation and stability of nascent proteins. Its function in the dolichol monophosphate biosynthetic machinery underscores its significance in cellular physiology and development.

THERAPEUTIC SIGNIFICANCE:
Given its association with diseases such as Congenital disorder of glycosylation 1AA and Intellectual developmental disorder, autosomal dominant 55, with seizures, NUS1 represents a promising avenue for drug discovery and therapeutic development.

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