Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 is unique due to several crucial aspects:
partner
Reaxense
upacc
O95865
UPID:
DDAH2_HUMAN
Alternative names:
DDAHII; Dimethylargininase-2; Protein G6a; S-phase protein
Alternative UPACC:
O95865; A2BEZ7
Background:
N(G),N(G)-dimethylarginine dimethylaminohydrolase 2, also known as DDAHII, plays a crucial role in the regulation of nitric oxide (NO) production by hydrolyzing N(G),N(G)-dimethyl-L-arginine (ADMA) and N(G)-monomethyl-L-arginine (MMA). These substrates act as inhibitors of nitric oxide synthase (NOS), suggesting DDAHII's pivotal role in modulating NO levels.
Therapeutic significance:
Understanding the role of N(G),N(G)-dimethylarginine dimethylaminohydrolase 2 could open doors to potential therapeutic strategies. Its critical function in regulating nitric oxide, a key molecule in cardiovascular health, positions it as a target for therapeutic intervention in related diseases.