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
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
P0CG30
UPID:
GSTT2_HUMAN
Alternative names:
Glutathione S-transferase theta-2
Alternative UPACC:
P0CG30; O60665; P30712; Q6IPV7; Q9HD76
Background:
Glutathione S-transferase theta-2B (GSTT2B) plays a crucial role in cellular detoxification. It achieves this by conjugating reduced glutathione to a variety of hydrophobic electrophiles, as reported in PubMed:1417752. Additionally, GSTT2B exhibits sulfatase activity, further contributing to its detoxifying functions.
Therapeutic significance:
Understanding the role of Glutathione S-transferase theta-2B could open doors to potential therapeutic strategies. Its involvement in detoxification processes positions it as a key target for enhancing drug efficacy and reducing toxicity.