Focused On-demand Library for Tyrosine 3-monooxygenase

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.


In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.


We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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
P07101

UPID:
TY3H_HUMAN

ALTERNATIVE NAMES:
Tyrosine 3-hydroxylase

ALTERNATIVE UPACC:
P07101; B7ZL70; B7ZL73; Q0PWM2; Q0PWM3; Q15585; Q15588; Q15589; Q2M3B4

BACKGROUND:
Tyrosine 3-monooxygenase, alternatively known as Tyrosine 3-hydroxylase, is crucial for catecholamine biosynthesis, converting L-tyrosine to L-DOPA. This enzyme, essential for dopamine, noradrenaline, and adrenaline production, relies on tetrahydrobiopterin and oxygen. It also has the capability to hydroxylate other amino acids like phenylalanine and tryptophan, albeit with less efficiency.

THERAPEUTIC SIGNIFICANCE:
Linked to Segawa syndrome autosomal recessive, a dystonia responding well to L-DOPA, Tyrosine 3-monooxygenase's study could pave the way for novel therapeutic approaches in treating similar neurological conditions. Its role in this disease underscores the enzyme's potential in drug discovery and development.

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