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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

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

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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

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.