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.
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.
We employ our advanced, specialised process to create 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.
Key features that set our library apart include:
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.