Focused On-demand Library for Fatty-acid amide hydrolase 2

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

Q6GMR7

UPID:

FAAH2_HUMAN

Alternative names:

Amidase domain-containing protein; Anandamide amidohydrolase 2; Oleamide hydrolase 2

Alternative UPACC:

Q6GMR7; Q86VT2; Q96N98

Background:

Fatty-acid amide hydrolase 2, also known as Anandamide amidohydrolase 2 and Oleamide hydrolase 2, plays a crucial role in the hydrolysis of endogenous amidated lipids. These include sleep-inducing oleamide, the endocannabinoid anandamide, and other fatty amides, converting them into their corresponding fatty acids. This process is vital for regulating the signaling functions of these molecules, with a preference for monounsaturated substrates like anandamide.

Therapeutic significance:

Understanding the role of Fatty-acid amide hydrolase 2 could open doors to potential therapeutic strategies. Its involvement in the metabolism of bioactive lipid molecules positions it as a key target for modulating physiological processes related to sleep, pain, and inflammation.