Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q96A58
UPID:
RERG_HUMAN
Alternative names:
-
Alternative UPACC:
Q96A58; B2R9R0; B4DI02
Background:
The Ras-related and estrogen-regulated growth inhibitor plays a pivotal role in cellular processes by binding GDP/GTP and exhibiting intrinsic GTPase activity. It demonstrates a higher affinity for GDP over GTP, indicating its regulatory function in cellular signaling pathways. Its overexpression in cell lines leads to a notable decrease in proliferation, colony formation, and tumorigenic potential, highlighting its importance in cell growth regulation.
Therapeutic significance:
Understanding the role of Ras-related and estrogen-regulated growth inhibitor could open doors to potential therapeutic strategies. Its ability to modulate cell proliferation and tumorigenic potential makes it a promising target for developing interventions in cancer and other growth-related disorders.