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.
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.
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
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
O43708
UPID:
MAAI_HUMAN
Alternative names:
GSTZ1-1; Glutathione S-transferase zeta 1
Alternative UPACC:
O43708; A6NED0; A6NNB8; A8MWD7; B2RCK3; O15308; O75430; Q6IB17; Q7Z610; Q9BV63
Background:
Maleylacetoacetate isomerase, also known by its alternative names GSTZ1-1 and Glutathione S-transferase zeta 1, plays a crucial role in metabolism. This bifunctional enzyme exhibits minimal glutathione-conjugating activity with various substrates and possesses maleylacetoacetate isomerase activity. It also demonstrates low glutathione peroxidase activity, contributing to cellular antioxidant defenses by catalyzing the glutathione-dependent oxygenation of specific compounds.
Therapeutic significance:
The enzyme is linked to Maleylacetoacetate isomerase deficiency, a benign metabolic disorder characterized by mild elevations in succinylacetone. Understanding the role of Maleylacetoacetate isomerase could open doors to potential therapeutic strategies, offering insights into metabolic disorders and the development of targeted treatments.