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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our top-notch dedicated system is used to design specialised libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Our library stands out due to several important features:
partner
Reaxense
upacc
P10768
UPID:
ESTD_HUMAN
Alternative names:
Esterase D; Methylumbelliferyl-acetate deacetylase
Alternative UPACC:
P10768; Q5TBU8; Q5TBV0; Q5TBV2; Q9BVJ2
Background:
S-formylglutathione hydrolase, also known as Esterase D and Methylumbelliferyl-acetate deacetylase, plays a crucial role in the detoxification of formaldehyde, a potentially harmful compound. This serine hydrolase enzyme catalyzes the conversion of S-formylglutathione to formate and glutathione, a key reaction in cellular defense mechanisms against formaldehyde-induced toxicity.
Therapeutic significance:
Understanding the role of S-formylglutathione hydrolase could open doors to potential therapeutic strategies. Its pivotal function in detoxifying formaldehyde suggests its significance in maintaining cellular health and preventing diseases associated with formaldehyde exposure.