Focused On-demand Library for Adenosylhomocysteinase

Focused On-demand Libraries - Reaxense 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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner 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 high-tech, dedicated method is applied to construct targeted libraries for enzymes.

Fig. 1. The sreening 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

Reaxense

upacc

P23526

UPID:

SAHH_HUMAN

Alternative names:

S-adenosyl-L-homocysteine hydrolase

Alternative UPACC:

P23526; A8K307; B3KUN3; E1P5P2; F5H737; Q96A36

Background:

Adenosylhomocysteinase, also known as S-adenosyl-L-homocysteine hydrolase, plays a crucial role in methionine metabolism by catalyzing the hydrolysis of S-adenosyl-L-homocysteine to adenosine and homocysteine. This enzyme's activity is essential for maintaining the balance of methylation reactions in the body.

Therapeutic significance:

The enzyme's deficiency is linked to Hypermethioninemia with S-adenosylhomocysteine hydrolase deficiency, a metabolic disorder causing severe developmental issues. Understanding the enzyme's function could lead to targeted therapies for this condition, highlighting its therapeutic significance.