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 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 employ our advanced, specialised process to create targeted 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
P0DPD8
UPID:
EFCE2_HUMAN
Alternative names:
-
Alternative UPACC:
P0DPD8; A5PLK8; O60344; Q6NTG7; Q6UW36; Q8NFD7; Q96NX3; Q96NX4; Q9BRZ8
Background:
The EEF1AKMT4-ECE2 readthrough transcript protein plays a crucial role in the conversion of big endothelin-1 to endothelin-1, a process vital for vascular function and blood pressure regulation. It is also speculated to possess methyltransferase activity and may influence amyloid-beta processing, suggesting a potential link to neurodegenerative diseases.
Therapeutic significance:
Understanding the role of EEF1AKMT4-ECE2 readthrough transcript protein could open doors to potential therapeutic strategies, particularly in the management of cardiovascular diseases and the exploration of new avenues in Alzheimer's disease treatment.