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
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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q93088
UPID:
BHMT1_HUMAN
Alternative names:
-
Alternative UPACC:
Q93088; Q9UNI9
Background:
Betaine--homocysteine S-methyltransferase 1 plays a pivotal role in homocysteine metabolism, catalyzing the conversion of betaine and homocysteine into dimethylglycine and methionine, respectively. This enzymatic process is crucial for the irreversible oxidation of choline, highlighting its significance in maintaining metabolic balance.
Therapeutic significance:
Understanding the role of Betaine--homocysteine S-methyltransferase 1 could open doors to potential therapeutic strategies. Its critical function in metabolizing homocysteine not only underscores its importance in metabolic pathways but also suggests its potential involvement in metabolic disorders.