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.
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
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.