Focused On-demand Library for Prostaglandin reductase 2

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


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 top-notch dedicated system is used to design specialised 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.


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.

PARTNER
Receptor.AI
 
UPACC
Q8N8N7

UPID:
PTGR2_HUMAN

ALTERNATIVE NAMES:
15-oxoprostaglandin 13-reductase; Zinc-binding alcohol dehydrogenase domain-containing protein 1

ALTERNATIVE UPACC:
Q8N8N7; Q3L8A4; Q6MZH8

BACKGROUND:
The enzyme Prostaglandin reductase 2, recognized for its function as 15-oxoprostaglandin 13-reductase, is pivotal in the prostaglandin metabolic pathway. It exhibits highest activity towards 15-keto-PGE2, a key prostaglandin involved in various physiological and pathological processes. By acting on specific prostaglandin derivatives, it plays a significant role in their conversion to less active molecules, thus regulating their effects on inflammation and adipocyte differentiation.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Prostaglandin reductase 2 could open doors to potential therapeutic strategies. Given its regulatory effect on prostaglandin levels and adipocyte differentiation, targeting this enzyme could offer new avenues in treating inflammatory conditions and metabolic disorders. Its ability to modulate key biological processes underscores its therapeutic potential in managing diseases associated with prostaglandin dysregulation.

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