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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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
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 stands out due to several important features:
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.