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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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.
We employ our advanced, specialised process to create targeted 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
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.