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.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
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.
Our top-notch dedicated system is used to design specialised 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.
Key features that set our library apart include:
partner
Reaxense
upacc
P16452
UPID:
EPB42_HUMAN
Alternative names:
Erythrocyte membrane protein band 4.2
Alternative UPACC:
P16452; Q4KKX0; Q4VB97
Background:
Protein 4.2, also known as Erythrocyte membrane protein band 4.2, plays a crucial role as part of the ankyrin-1 complex. This complex is essential for maintaining the stability and shape of the erythrocyte membrane, ensuring proper cellular function.
Therapeutic significance:
Given its pivotal role in erythrocyte membrane integrity, Protein 4.2's dysfunction is directly linked to Spherocytosis 5, a condition characterized by chronic hemolytic anemia and abnormally shaped erythrocytes. Targeting Protein 4.2 could offer novel therapeutic avenues for managing this hematologic disorder.