Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
We utilise our cutting-edge, exclusive workflow to develop focused 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.
Key features that set our library apart include:
partner
Reaxense
upacc
P16581
UPID:
LYAM2_HUMAN
Alternative names:
CD62 antigen-like family member E; Endothelial leukocyte adhesion molecule 1; Leukocyte-endothelial cell adhesion molecule 2
Alternative UPACC:
P16581; A2RRD6; P16111
Background:
E-selectin, also known as CD62 antigen-like family member E, Endothelial leukocyte adhesion molecule 1, and Leukocyte-endothelial cell adhesion molecule 2, is a cell-surface glycoprotein crucial for immunoadhesion. It plays a pivotal role in the adhesion of blood neutrophils to cytokine-activated endothelium via interaction with SELPLG/PSGL1 and is implicated in capillary morphogenesis.
Therapeutic significance:
Understanding the role of E-selectin could open doors to potential therapeutic strategies.