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.
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 high-tech, dedicated method is applied to construct targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P02100
UPID:
HBE_HUMAN
Alternative names:
Epsilon-globin; Hemoglobin epsilon chain
Alternative UPACC:
P02100; Q6FH44
Background:
The Hemoglobin subunit epsilon, also known as Epsilon-globin or Hemoglobin epsilon chain, encoded by the UPACC P02100, plays a pivotal role in the early stages of mammalian embryonic development. This beta-type chain is integral to the formation of embryonic hemoglobin, essential for effective oxygen transport during the initial phases of fetal development.
Therapeutic significance:
Understanding the role of Hemoglobin subunit epsilon could open doors to potential therapeutic strategies. Its critical function in embryonic hemoglobin formation highlights its importance in developmental biology and medicine.