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.
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.
The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
We employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
O94760
UPID:
DDAH1_HUMAN
Alternative names:
DDAHI; Dimethylargininase-1
Alternative UPACC:
O94760; Q5HYC8; Q86XK5
Background:
N(G),N(G)-dimethylarginine dimethylaminohydrolase 1, also known as DDAHI or Dimethylargininase-1, plays a crucial role in the regulation of nitric oxide (NO) synthesis. By hydrolyzing N(G),N(G)-dimethyl-L-arginine (ADMA) and N(G)-monomethyl-L-arginine (MMA), it counteracts their inhibitory effect on nitric oxide synthase (NOS), facilitating NO production.
Therapeutic significance:
Understanding the role of N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 could open doors to potential therapeutic strategies. Its pivotal function in modulating nitric oxide levels suggests its involvement in various physiological and pathological processes, offering a promising target for drug discovery.