Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner 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.
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
Q04760
UPID:
LGUL_HUMAN
Alternative names:
Aldoketomutase; Glyoxalase I; Ketone-aldehyde mutase; Methylglyoxalase; S-D-lactoylglutathione methylglyoxal lyase
Alternative UPACC:
Q04760; B2R6P7; B4DDV0; P78375; Q59EL0; Q5TZW3; Q96FC0; Q96J41
Background:
Lactoylglutathione lyase, also known as Glyoxalase I, plays a crucial role in cellular detoxification by catalyzing the conversion of hemimercaptal, a compound formed from methylglyoxal and glutathione, into S-lactoylglutathione. This enzyme is pivotal in mitigating the effects of reactive oxygen species, thereby protecting cells from oxidative stress. Its involvement extends to regulating TNF-induced transcriptional activity of NF-kappa-B and is essential for normal osteoclastogenesis.
Therapeutic significance:
Understanding the role of Lactoylglutathione lyase could open doors to potential therapeutic strategies. Its critical function in detoxification and regulation of inflammatory responses highlights its potential as a target for developing treatments aimed at conditions characterized by oxidative stress and inflammation.