Focused On-demand Library for Retinoid isomerohydrolase

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.


The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.


Our high-tech, dedicated method is applied to construct targeted 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.


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
Q16518

UPID:
RPE65_HUMAN

ALTERNATIVE NAMES:
All-trans-retinyl-palmitate hydrolase; Lutein isomerase; Meso-zeaxanthin isomerase; Retinal pigment epithelium-specific 65 kDa protein; Retinol isomerase

ALTERNATIVE UPACC:
Q16518; A8K1L0; Q5T9U3

BACKGROUND:
The enzyme Retinoid isomerohydrolase, known for its critical isomerohydrolase activity in the retinoid cycle, is essential for regenerating 11-cis-retinal, the chromophore of rod and cone opsins. Its ability to catalyze the isomerization of specific carotenoids further underscores its importance in maintaining visual function and eye health.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Retinoid isomerohydrolase could open doors to potential therapeutic strategies. Its involvement in debilitating eye conditions such as Leber congenital amaurosis 2 and Retinitis pigmentosa positions it as a key target for developing treatments aimed at improving or preserving vision in affected individuals.

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