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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner 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.
We use our state-of-the-art dedicated workflow for designing focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.
Our library stands out due to several important features:
partner
Reaxense
upacc
P13747
UPID:
HLAE_HUMAN
Alternative names:
MHC class I antigen E
Alternative UPACC:
P13747; E2G051; Q30169; Q6DU44; Q9BT83; Q9GIY7; Q9GIY8
Background:
HLA class I histocompatibility antigen, alpha chain E (HLA-E), a non-classical major histocompatibility class Ib molecule, plays a crucial role in immune self-nonself discrimination. It forms a complex with B2M/beta-2-microglobulin to bind self-peptides from classical MHC class Ia molecules, functioning as a ligand for NK cell inhibitory receptors, thus enabling NK cells to tolerate self. HLA-E's interaction with peptides from stress-induced chaperones or viral proteins alters its recognition by NK cells, impacting immune response.
Therapeutic significance:
Understanding the role of HLA-E could open doors to potential therapeutic strategies, especially considering its involvement in immune evasion mechanisms of pathogens like HIV-1, human cytomegalovirus, and SARS-CoV-2. Its ability to modulate NK cell activity offers a promising avenue for enhancing antiviral and antitumor immunity.