Focused On-demand Library for Deoxyhypusine hydroxylase

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 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.


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
Q9BU89

UPID:
DOHH_HUMAN

ALTERNATIVE NAMES:
Deoxyhypusine dioxygenase; Deoxyhypusine monooxygenase; HEAT-like repeat-containing protein 1

ALTERNATIVE UPACC:
Q9BU89; O75265

BACKGROUND:
Deoxyhypusine hydroxylase, known for its alternative names such as Deoxyhypusine dioxygenase and HEAT-like repeat-containing protein 1, is crucial for hypusination in the eukaryotic translation initiation factor 5A/eIF-5A. This unique post-translational modification is vital for the mature eIF-5A factor's function, involving the hydroxylation of the N(6)-(4-aminobutyl)-L-lysine intermediate.

THERAPEUTIC SIGNIFICANCE:
Given its involvement in a neurodevelopmental disorder characterized by developmental delay, intellectual disability, and microcephaly, Deoxyhypusine hydroxylase represents a significant target for drug discovery. Understanding its role could lead to innovative therapeutic approaches for this and potentially other related disorders.

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