Focused On-demand Library for 5-aminolevulinate synthase, non-specific, mitochondrial

Details

Focused On-demand Libraries - Receptor.AI 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.


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.


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


 

Fig. 1. The screening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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
P13196

UPID:
HEM1_HUMAN

ALTERNATIVE NAMES:
5-aminolevulinic acid synthase 1; Delta-ALA synthase 1; Delta-aminolevulinate synthase 1

ALTERNATIVE UPACC:
P13196

BACKGROUND:
The enzyme 5-aminolevulinate synthase, non-specific, mitochondrial, also known as ALAS, is crucial for the production of heme, an essential molecule in various biological processes. This enzyme, identified by the accession number P13196, facilitates the synthesis of aminolevulinic acid (ALA) from succinyl-CoA and glycine, marking the initial step in heme biosynthesis. ALAS is recognized by several names, including 5-aminolevulinic acid synthase 1 and Delta-aminolevulinate synthase 1, highlighting its significance in cellular metabolism.

THERAPEUTIC SIGNIFICANCE:
Exploring the function of 5-aminolevulinate synthase, non-specific, mitochondrial unveils potential pathways for developing novel therapeutic approaches.

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