Focused On-demand Library for Acylglycerol kinase, mitochondrial

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.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by Reaxense.


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.


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


 

Fig. 1. The screening 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.


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
Q53H12

UPID:
AGK_HUMAN

ALTERNATIVE NAMES:
Multiple substrate lipid kinase

ALTERNATIVE UPACC:
Q53H12; Q75KN1; Q96GC3; Q9NP48

BACKGROUND:
The Acylglycerol kinase, mitochondrial, identified by its alternative name Multiple substrate lipid kinase, is integral to lipid signaling pathways, converting monoacylglycerol and diacylglycerol into bioactive lipids. Beyond its lipid kinase function, it is a vital part of the TIM22 complex, which is responsible for importing proteins into the mitochondrial inner membrane, a process critical for mitochondrial health and function. Its ability to influence cell growth through the MAPK signaling pathway further underscores its biological significance.

THERAPEUTIC SIGNIFICANCE:
Given its critical role in diseases such as Mitochondrial DNA depletion syndrome 10 and Cataract 38, Acylglycerol kinase represents a promising target for drug discovery efforts. The protein's dual function in lipid metabolism and protein import into mitochondria makes it a unique candidate for developing treatments aimed at mitigating the effects of mitochondrial diseases. Exploring Acylglycerol kinase's therapeutic potential could lead to innovative approaches to treat or manage these challenging conditions.

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