Focused On-demand Library for 15-hydroxyprostaglandin dehydrogenase [NAD(+)]

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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

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.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

P15428

UPID:

PGDH_HUMAN

Alternative names:

Eicosanoid/docosanoid dehydrogenase [NAD(+)]; Prostaglandin dehydrogenase 1; Short chain dehydrogenase/reductase family 36C member 1

Alternative UPACC:

P15428; B4DTA4; B4DU74; B4DV57; D3DP43; E7EV11; O00749; Q06F08; Q12998

Background:

15-hydroxyprostaglandin dehydrogenase [NAD(+)], also known as Eicosanoid/docosanoid dehydrogenase [NAD(+)], Prostaglandin dehydrogenase 1, and Short chain dehydrogenase/reductase family 36C member 1, plays a pivotal role in the metabolism of hydroxylated polyunsaturated fatty acids. This enzyme catalyzes the NAD-dependent dehydrogenation of eicosanoids and docosanoids, including prostaglandins and lipoxins, leading to the production of their corresponding keto metabolites.

Therapeutic significance:

The enzyme's ability to decrease pro-proliferative prostaglandins like prostaglandin E2, which is upregulated in cancer due to increased cyclooxygenase 2 expression, and to convert resolvins to their oxo products, highlights its potential in treating inflammatory diseases and cancer. Understanding the role of 15-hydroxyprostaglandin dehydrogenase [NAD(+)] could open doors to potential therapeutic strategies.