AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Delta-aminolevulinic acid dehydratase

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.

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 sreening 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.

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

Reaxense

upacc

P13716

UPID:

HEM2_HUMAN

Alternative names:

Porphobilinogen synthase

Alternative UPACC:

P13716; A8K375; B2R6F2; Q16870; Q16871; Q9BVQ9

Background:

Delta-aminolevulinic acid dehydratase, also known as Porphobilinogen synthase, plays a crucial role in the biosynthesis of tetrapyrroles, essential components of heme, chlorophyll, and other vital biological compounds. It catalyzes the condensation of two molecules of 5-aminolevulinate to form porphobilinogen, a key precursor in the biosynthetic pathway.

Therapeutic significance:

Acute hepatic porphyria, a disease characterized by gastrointestinal disturbances, abdominal colic, and neuropathy, is linked to mutations affecting this enzyme. Understanding its function and the impact of genetic variants offers a pathway to targeted treatments for this debilitating condition.

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