Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.
The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
P0CG29
UPID:
GST2_HUMAN
Alternative names:
GST class-theta-2
Alternative UPACC:
P0CG29; O60665; P30712; Q6IPV7; Q9HD76
Background:
Glutathione S-transferase theta-2 (GSTT2) is a crucial enzyme in the detoxification process, catalyzing the conjugation of reduced glutathione to a wide array of hydrophobic electrophiles. This process is vital for the metabolism and elimination of toxins. GSTT2 also exhibits sulfatase activity, further contributing to its role in cellular detoxification.
Therapeutic significance:
Understanding the role of Glutathione S-transferase theta-2 could open doors to potential therapeutic strategies. Its involvement in detoxification processes positions it as a key target for enhancing drug metabolism and reducing drug-induced toxicity, offering a promising avenue for the development of novel detoxification therapies.