Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated 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 utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P09210
UPID:
GSTA2_HUMAN
Alternative names:
GST HA subunit 2; GST class-alpha member 2; GST-gamma; GSTA2-2; GTH2
Alternative UPACC:
P09210; Q12759; Q16491; Q9NTY6
Background:
Glutathione S-transferase A2 (GSTA2) plays a crucial role in cellular detoxification by catalyzing the conjugation of glutathione to a wide array of electrophilic compounds. Known by alternative names such as GST HA subunit 2, GST class-alpha member 2, and GSTA2-2, this enzyme is pivotal in processing carcinogens, therapeutic drugs, and environmental toxins, thereby protecting cells from oxidative stress and damage.
Therapeutic significance:
Understanding the role of Glutathione S-transferase A2 could open doors to potential therapeutic strategies. Its ability to detoxify a variety of harmful compounds makes it a significant target for enhancing drug efficacy and reducing adverse drug reactions, offering promising avenues for the development of novel detoxification therapies.