Focused On-demand Library for Serum paraoxonase/arylesterase 1

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 carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


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.


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


 

Fig. 1. The screening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.


Our library distinguishes itself through several key aspects:


  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.

  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.

  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.

  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

PARTNER
Receptor.AI
 
UPACC
P27169

UPID:
PON1_HUMAN

ALTERNATIVE NAMES:
Aromatic esterase 1; K-45; Serum aryldialkylphosphatase 1

ALTERNATIVE UPACC:
P27169; B2RA40; Q16052; Q6B0J6; Q9UCB1

BACKGROUND:
The enzyme Serum paraoxonase/arylesterase 1, known alternatively as Aromatic esterase 1, K-45, and Serum aryldialkylphosphatase 1, is encoded by a gene identified by the accession number P27169. It is instrumental in detoxifying organophosphorus insecticides by hydrolyzing their toxic metabolites. Its ability to degrade a wide range of substrates, including lactones and aromatic carboxylic acid esters, is essential for the enzymatic protection of low-density lipoproteins from oxidative damage, which is a precursor to atheroma development.

THERAPEUTIC SIGNIFICANCE:
Given its role in mitigating Microvascular complications of diabetes 5, particularly through its association with diabetic retinopathy, Serum paraoxonase/arylesterase 1 presents a promising target for therapeutic intervention. The strong association of the Leu-55 allele with retinal disease development in diabetic patients underscores the potential therapeutic strategies for managing diabetic complications.

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