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.
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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We utilise our cutting-edge, exclusive workflow to develop focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Key features that set our library apart include:
partner
Reaxense
upacc
Q14914
UPID:
PTGR1_HUMAN
Alternative names:
15-oxoprostaglandin 13-reductase; Dithiolethione-inducible gene 1 protein; Leukotriene B4 12-hydroxydehydrogenase; NAD(P)H-dependent alkenal/one oxidoreductase
Alternative UPACC:
Q14914; A8K0N2; B4DPK3; F5GY50; Q8IYQ0; Q9H1X6
Background:
Prostaglandin reductase 1, known by alternative names such as 15-oxoprostaglandin 13-reductase and Leukotriene B4 12-hydroxydehydrogenase, plays a pivotal role in the metabolic inactivation of eicosanoids, including prostaglandins and leukotrienes. This enzyme efficiently reduces the 13,14 double bond of 15-oxoPGs and oxidizes LTB4 into less active metabolites, thereby modulating inflammatory responses.
Therapeutic significance:
Understanding the role of Prostaglandin reductase 1 could open doors to potential therapeutic strategies. Its involvement in the regulation of inflammatory mediators highlights its potential as a target for developing treatments for inflammation-related conditions.