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

Details

Focused On-demand Libraries - Receptor.AI 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. Reaxense aids in their synthesis and provision.


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 utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.


 

Fig. 1. The screening 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.


Our library stands out due to several important features:


  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.

  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.

  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.

  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

PARTNER
Receptor.AI
 
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(+)] is crucial for the oxidative metabolism of a wide range of hydroxylated polyunsaturated fatty acids, effectively regulating the levels of key eicosanoids and docosanoids. This enzyme's activity is essential for the conversion of prostaglandins and resolvins into their inactive keto forms, playing a significant role in inflammation resolution and cellular function modulation.

THERAPEUTIC SIGNIFICANCE:
Given its role in generating oxo-fatty acid products that can abrogate pro-inflammatory cytokine expression and its involvement in the inactivation of resolvins, this enzyme represents a promising target for the development of new anti-inflammatory and anticancer therapies. The exploration of 15-hydroxyprostaglandin dehydrogenase [NAD(+)] in drug discovery could lead to groundbreaking treatments for a variety of diseases.

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