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

Focused On-demand Libraries - Reaxense 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. Our partner Reaxense helps in synthesizing and delivering these compounds.

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 use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

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, also known as Anandamide amidohydrolase 1, plays a crucial role in the hydrolysis of endogenous amidated lipids, including the sleep-inducing lipid oleamide and the endocannabinoid anandamide. This enzyme is pivotal in regulating the signaling functions of these molecules, with a preference for polyunsaturated substrates like anandamide over monounsaturated substrates.

Therapeutic significance:

Understanding the role of Fatty-acid amide hydrolase 1 could open doors to potential therapeutic strategies. Its involvement in the regulation of signaling molecules suggests its potential as a target for modulating physiological processes related to sleep and endocannabinoid signaling.