Focused On-demand Library for DBH-like monooxygenase protein 1

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.


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 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.


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
Q6UVY6

UPID:
MOXD1_HUMAN

ALTERNATIVE NAMES:
Monooxygenase X

ALTERNATIVE UPACC:
Q6UVY6; Q5THU6; Q8NC97; Q8WV49; Q9H4M6; Q9Y4U3

BACKGROUND:
The DBH-like monooxygenase protein 1, alternatively known as Monooxygenase X, is integral to the complex network of enzymes within the human body. Its role, though not completely understood, is critical for the proper functioning of cellular processes. This protein's activity is a focal point for research aimed at deciphering the molecular mechanisms underlying human physiology.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of DBH-like monooxygenase protein 1 holds promise for the development of innovative therapeutic approaches. As research progresses, the potential to harness this protein for the treatment of diseases linked to metabolic pathways becomes increasingly plausible.

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