Focused On-demand Library for Serine beta-lactamase-like protein LACTB, mitochondrial

Details

Focused On-demand Libraries - Receptor.AI 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 Reaxense.


The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal 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 screening 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
Receptor.AI
 
UPACC
P83111

UPID:
LACTB_HUMAN

ALTERNATIVE NAMES:
-

ALTERNATIVE UPACC:
P83111; P83096

BACKGROUND:
The mitochondrial Serine beta-lactamase-like protein LACTB serves as a crucial regulator of lipid metabolism within mitochondria. It primarily functions by reducing the levels of the enzyme PISD, thereby impacting the conversion process of phosphatidylserine to phosphatidylethanolamine, which is essential for maintaining mitochondrial health and functionality.

THERAPEUTIC SIGNIFICANCE:
The therapeutic significance of Serine beta-lactamase-like protein LACTB lies in its capacity to act as a tumor suppressor. By influencing mitochondrial lipid metabolism, it offers a promising avenue for the development of novel therapeutic interventions, especially in the context of breast cancer treatment.

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