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.
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.
Our top-notch dedicated system is used to design specialised 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
P46439
UPID:
GSTM5_HUMAN
Alternative names:
GST class-mu 5; GSTM5-5
Alternative UPACC:
P46439; A8K0V8; Q6PD78
Background:
Glutathione S-transferase Mu 5 (GSTM5-5), also known as GST class-mu 5, plays a crucial role in cellular defense mechanisms. It achieves this by facilitating the conjugation of reduced glutathione to a wide array of hydrophobic electrophiles, both exogenous and endogenous. This process is vital for the detoxification of harmful compounds and the prevention of cellular damage.
Therapeutic significance:
Understanding the role of Glutathione S-transferase Mu 5 could open doors to potential therapeutic strategies. Its involvement in detoxification processes positions it as a key target for enhancing cellular resilience against toxic insults, potentially mitigating the effects of various diseases.