Focused On-demand Library for Beta,beta-carotene 15,15'-dioxygenase

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.


Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by Reaxense.


Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.


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.


Our library stands out due to several important features:


  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.

  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.

  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.

  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

PARTNER
Receptor.AI
 
UPACC
Q9HAY6

UPID:
BCDO1_HUMAN

ALTERNATIVE NAMES:
Beta-carotene dioxygenase 1; Beta-carotene oxygenase 1

ALTERNATIVE UPACC:
Q9HAY6; A0AV48; A0AV50; Q9NVH5

BACKGROUND:
Known alternatively as Beta-carotene oxygenase 1, this enzyme is pivotal in converting beta-carotene to vitamin A, essential for vision, growth, and immune function. Its action through a dioxygenase mechanism underscores its significance in nutrient metabolism.

THERAPEUTIC SIGNIFICANCE:
Mutations affecting Beta-carotene oxygenase 1 lead to Hypercarotenemia and vitamin A deficiency, autosomal dominant. Exploring this protein's function offers promising avenues for developing treatments for diseases stemming from vitamin A deficiencies.

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