Focused On-demand Library for Monoacylglycerol lipase ABHD2

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

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

Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

P08910

UPID:

ABHD2_HUMAN

Alternative names:

2-arachidonoylglycerol hydrolase; Abhydrolase domain-containing protein 2; Acetylesterase; Lung alpha/beta hydrolase 2; Progesterone-sensitive lipase; Protein PHPS1-2

Alternative UPACC:

P08910; Q53G48; Q53GU0; Q5FVD9; Q8TC79

Background:

Monoacylglycerol lipase ABHD2, also known as 2-arachidonoylglycerol hydrolase, plays a pivotal role in lipid metabolism by catalyzing the hydrolysis of endocannabinoid arachidonoylglycerol (AG) from the cell membrane. This enzyme is activated by progesterone, linking it to reproductive processes. ABHD2's ability to degrade 2AG facilitates sperm capacitation via calcium influx, highlighting its importance in fertility. Additionally, it exhibits ester hydrolase activity, further underscoring its versatile biochemical functions.

Therapeutic significance:

Understanding the role of Monoacylglycerol lipase ABHD2 could open doors to potential therapeutic strategies, particularly in the realm of reproductive health and lipid metabolism disorders. Its unique enzymatic activities offer a promising avenue for targeted interventions.