Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.
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 utilise our cutting-edge, exclusive workflow to develop 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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q16772
UPID:
GSTA3_HUMAN
Alternative names:
GST class-alpha member 3; Glutathione S-transferase A3-3
Alternative UPACC:
Q16772; O43468; Q068V6; Q8WWA8; Q9H415
Background:
Glutathione S-transferase A3 (GSTA3) plays a crucial role in detoxifying exogenous and endogenous compounds by conjugating them with glutathione. It is involved in the biosynthesis of steroid hormones, including testosterone and progesterone, through isomerization reactions. GSTA3 also shows activity against harmful substances like aflatoxin B1-8,9-epoxide.
Therapeutic significance:
Understanding the role of Glutathione S-transferase A3 could open doors to potential therapeutic strategies. Its involvement in hormone biosynthesis and detoxification processes highlights its importance in maintaining physiological balance and protecting against toxic compounds.