Focused On-demand Library for Fatty-acid amide hydrolase 1

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.


We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


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 method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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
Receptor.AI
 
UPACC
O00519

UPID:
FAAH1_HUMAN

ALTERNATIVE NAMES:
Anandamide amidohydrolase 1; Fatty acid ester hydrolase; Oleamide hydrolase 1

ALTERNATIVE UPACC:
O00519; D3DQ19; Q52M86; Q5TDF8

BACKGROUND:
Fatty-acid amide hydrolase 1, identified by its alternative names such as Oleamide hydrolase 1, is instrumental in the hydrolysis of fatty amides to their corresponding fatty acids. This enzyme's activity on substrates like the endocannabinoid 2-arachidonoylglycerol underscores its critical role in the physiological regulation of intracellular N-fatty acyl amino acids, in cooperation with PM20D1.

THERAPEUTIC SIGNIFICANCE:
The exploration of Fatty-acid amide hydrolase 1's function offers a promising avenue for the development of novel therapeutic interventions. Its capacity to regulate key signaling pathways through the hydrolysis of endocannabinoids and other fatty amides positions it as a valuable target for drug discovery.

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