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 carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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 use our state-of-the-art dedicated workflow for designing focused 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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
P15311
UPID:
EZRI_HUMAN
Alternative names:
Cytovillin; Villin-2; p81
Alternative UPACC:
P15311; E1P5A8; P23714; Q4VX75; Q96CU8; Q9NSJ4
Background:
Ezrin, also known as Cytovillin, Villin-2, and p81, plays a crucial role in the structural organization of the plasma membrane. It is instrumental in connecting major cytoskeletal structures to the plasma membrane, facilitating the formation of microvilli and membrane ruffles in epithelial cells. Additionally, Ezrin, in conjunction with PLEKHG6, is essential for normal macropinocytosis, a process vital for nutrient intake and pathogen defense.
Therapeutic significance:
Understanding the role of Ezrin could open doors to potential therapeutic strategies. Its pivotal function in cellular structure and signaling pathways suggests that modulating Ezrin activity could influence disease outcomes, particularly in conditions where cellular architecture and signaling are compromised.