Focused On-demand Library for Transmembrane prolyl 4-hydroxylase

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.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


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.


We utilise our cutting-edge, exclusive workflow to develop 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.


Several key aspects differentiate our library:


  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.

  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.

  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.

  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

PARTNER
Receptor.AI
 
UPACC
Q9NXG6

UPID:
P4HTM_HUMAN

ALTERNATIVE NAMES:
Hypoxia-inducible factor prolyl hydroxylase 4

ALTERNATIVE UPACC:
Q9NXG6; Q6PAG6; Q8TCJ9; Q8WV55; Q96F22; Q9BW77

BACKGROUND:
Transmembrane prolyl 4-hydroxylase, known alternatively as Hypoxia-inducible factor prolyl hydroxylase 4, is crucial for the post-translational modification of HIF alpha proteins. It hydroxylates HIF1A, facilitating its proteasomal degradation in the presence of oxygen, thereby serving as a key regulator of cellular response to hypoxia.

THERAPEUTIC SIGNIFICANCE:
Given its role in a severe neurodevelopmental disorder with symptoms like epilepsy and visual abnormalities, targeting Transmembrane prolyl 4-hydroxylase presents a promising avenue for therapeutic intervention. The enzyme's function as an oxygen sensor and its impact on HIF stability highlight its potential in drug discovery for respiratory and neurodevelopmental diseases.

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