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.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
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 use our state-of-the-art dedicated workflow for designing 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.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q16775
UPID:
GLO2_HUMAN
Alternative names:
Glyoxalase II
Alternative UPACC:
Q16775; A8K290; B4DP33; B4DRA7; E7EN93
Background:
Hydroxyacylglutathione hydrolase, mitochondrial, also known as Glyoxalase II, plays a crucial role in cellular detoxification. It catalyzes the hydrolysis of S-D-lactoyl-glutathione to glutathione and D-lactic acid, pivotal in maintaining cellular health.
Therapeutic significance:
Understanding the role of Hydroxyacylglutathione hydrolase could open doors to potential therapeutic strategies. Its involvement in detoxification processes positions it as a key target for enhancing cellular resilience against toxic metabolites.