Focused On-demand Library for Prostaglandin reductase 2

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.

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

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

Fig. 1. The sreening 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 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

Reaxense

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:

Prostaglandin reductase 2, also known as 15-oxoprostaglandin 13-reductase, plays a crucial role in the metabolism of prostaglandins, acting on various 15-keto prostaglandin derivatives with a preference for 15-keto-PGE2. This enzyme is integral in the prostaglandin biosynthesis pathway, influencing inflammatory responses and other physiological processes. Its activity is pivotal in converting prostaglandins into less active forms, thereby modulating their biological effects.

Therapeutic significance:

Understanding the role of Prostaglandin reductase 2 could open doors to potential therapeutic strategies. Its involvement in the prostaglandin metabolism pathway highlights its potential as a target for developing treatments aimed at inflammatory diseases, where prostaglandin levels are dysregulated. By influencing prostaglandin levels, therapeutic interventions could modulate inflammation and other processes mediated by these lipid compounds.