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.
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.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
Our top-notch dedicated system is used to design specialised libraries.
Fig. 1. The sreening workflow of Receptor.AI
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.
Several key aspects differentiate our library:
partner
Reaxense
upacc
O43854
UPID:
EDIL3_HUMAN
Alternative names:
Developmentally-regulated endothelial cell locus 1 protein; Integrin-binding protein DEL1
Alternative UPACC:
O43854; B2R763; O43855; Q5D094; Q8N610
Background:
EGF-like repeat and discoidin I-like domain-containing protein 3, also known as Developmentally-regulated endothelial cell locus 1 protein and Integrin-binding protein DEL1, plays a crucial role in endothelial cell adhesion through its interaction with the alpha-v/beta-3 integrin receptor. It is instrumental in inhibiting the formation of vascular-like structures and may regulate vascular morphogenesis and remodeling during embryonic development.
Therapeutic significance:
Understanding the role of EGF-like repeat and discoidin I-like domain-containing protein 3 could open doors to potential therapeutic strategies.