Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.
We utilise our cutting-edge, exclusive workflow to develop focused 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:
partner
Reaxense
upacc
Q9UBK8
UPID:
MTRR_HUMAN
Alternative names:
Aquacobalamin reductase
Alternative UPACC:
Q9UBK8; O60471; Q32MA9; Q7Z4M8
Background:
Methionine synthase reductase, also known as Aquacobalamin reductase, plays a pivotal role in methionine and folate homeostasis. It is essential for the reactivation of methionine synthase activity, facilitating the conversion of homocysteine to methionine and impacting transgenerational epigenetic inheritance.
Therapeutic significance:
Linked to Homocystinuria-megaloblastic anemia, cblE type, and Neural tube defects, folate-sensitive, understanding Methionine synthase reductase's function could unveil new therapeutic avenues.