Focused On-demand Library for Ethanolamine-phosphate phospho-lyase

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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.

We use our state-of-the-art dedicated workflow for designing focused 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.

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

Q8TBG4

UPID:

AT2L1_HUMAN

Alternative names:

Alanine--glyoxylate aminotransferase 2-like 1

Alternative UPACC:

Q8TBG4; B7Z1Y0; E9PBY0; Q9H174

Background:

Ethanolamine-phosphate phospho-lyase, also known as Alanine--glyoxylate aminotransferase 2-like 1, plays a crucial role in cellular metabolism. It catalyzes the pyridoxal-phosphate-dependent breakdown of phosphoethanolamine, converting it into ammonia, inorganic phosphate, and acetaldehyde. This enzymatic activity is vital for the proper functioning of various biological processes.

Therapeutic significance:

Understanding the role of Ethanolamine-phosphate phospho-lyase could open doors to potential therapeutic strategies. Its involvement in key metabolic pathways highlights its importance in maintaining cellular health and offers a promising avenue for drug discovery efforts aimed at modulating its activity.