Focused On-demand Library for Serum paraoxonase/arylesterase 2

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 our partner 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 sreening 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.

Our library is unique due to several crucial aspects:

  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.







Alternative names:

Aromatic esterase 2; Serum aryldialkylphosphatase 2

Alternative UPACC:

Q15165; A4D1H7; B2RCP9; B4DJD5; O15114; O15115; O75856; Q5FBX7; Q86YL0


Serum paraoxonase/arylesterase 2, also known as Aromatic esterase 2 or Serum aryldialkylphosphatase 2, is a multifunctional enzyme with the ability to hydrolyze lactones and various aromatic carboxylic acid esters. Beyond its catalytic activity, it plays a crucial role in antioxidant defense, particularly in the prevention of lipid peroxidation in low-density lipoprotein (LDL), a key factor in the pathogenesis of atherosclerosis. This protein is distinguished by its lack of association with high-density lipoprotein and its unique ability to reverse the oxidation of mildly oxidized LDL, inhibiting monocyte chemotaxis induced by MM-LDL.

Therapeutic significance:

Understanding the role of Serum paraoxonase/arylesterase 2 could open doors to potential therapeutic strategies, especially in the context of cardiovascular diseases where oxidative stress and lipid peroxidation play pivotal roles. Its antioxidant activity and effect on LDL oxidation suggest a protective mechanism against atherosclerosis, highlighting its therapeutic potential.

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