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.
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.
The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
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.
Our library stands out due to several important features:
partner
Reaxense
upacc
P10620
UPID:
MGST1_HUMAN
Alternative names:
Microsomal GST-I
Alternative UPACC:
P10620; A8K533; G5EA53
Background:
Microsomal glutathione S-transferase 1, also known as Microsomal GST-I, plays a crucial role in the detoxification process. It achieves this by facilitating the conjugation of reduced glutathione to a broad spectrum of hydrophobic electrophiles, both exogenous and endogenous. This enzymatic activity is vital for cellular defense mechanisms against toxic substances.
Therapeutic significance:
Understanding the role of Microsomal glutathione S-transferase 1 could open doors to potential therapeutic strategies. Its pivotal function in detoxification processes positions it as a key target for enhancing the body's ability to neutralize harmful compounds.