Focused On-demand Library for Acylglycerol kinase, mitochondrial

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.

Our top-notch dedicated system is used to design specialised libraries for enzymes.

Fig. 1. The sreening 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.

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

Q53H12

UPID:

AGK_HUMAN

Alternative names:

Multiple substrate lipid kinase

Alternative UPACC:

Q53H12; Q75KN1; Q96GC3; Q9NP48

Background:

Acylglycerol kinase, mitochondrial, also known as Multiple substrate lipid kinase, plays a pivotal role in lipid metabolism by phosphorylating monoacylglycerol and diacylglycerol to form lysophosphatidic acid and phosphatidic acid, respectively. It is a crucial component of the TIM22 complex, facilitating the import and insertion of multi-pass transmembrane proteins into the mitochondrial inner membrane. This protein's activity is essential for the proper functioning of mitochondria, impacting cellular energy production and metabolism.

Therapeutic significance:

Acylglycerol kinase's involvement in Mitochondrial DNA depletion syndrome 10 and Cataract 38, through its role in the TIM22 complex and lipid kinase activity, highlights its potential as a target for therapeutic intervention. Understanding the role of Acylglycerol kinase could open doors to potential therapeutic strategies for these mitochondrial disorders, offering hope for treatments that could alleviate symptoms or perhaps correct the underlying mitochondrial dysfunction.