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.
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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We utilise our cutting-edge, exclusive workflow to develop focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q15744
UPID:
CEBPE_HUMAN
Alternative names:
-
Alternative UPACC:
Q15744; Q15745; Q8IYI2; Q99803
Background:
CCAAT/enhancer-binding protein epsilon plays a pivotal role in myeloid differentiation, acting as a transcriptional activator. It binds to specific DNA motifs, facilitating the transition from promyelocyte to myelocyte, a critical step in the development of immune cells.
Therapeutic significance:
Linked to Specific granule deficiency 1 and Immunodeficiency 108 with autoinflammation, understanding the role of CCAAT/enhancer-binding protein epsilon could open doors to potential therapeutic strategies for these immune disorders.