Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our high-tech, dedicated method is applied to construct targeted 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.
Our library stands out due to several important features:
partner
Reaxense
upacc
P38570
UPID:
ITAE_HUMAN
Alternative names:
HML-1 antigen; Integrin alpha-IEL; Mucosal lymphocyte 1 antigen
Alternative UPACC:
P38570; Q17RS6; Q9NZU9
Background:
Integrin alpha-E, also known as HML-1 antigen, Integrin alpha-IEL, and Mucosal lymphocyte 1 antigen, plays a pivotal role in the immune system. It functions as a receptor for E-cadherin, facilitating the adhesion of intra-epithelial T-lymphocytes to epithelial cell monolayers. This specific interaction is crucial for the maintenance of epithelial integrity and the orchestration of localized immune responses.
Therapeutic significance:
Understanding the role of Integrin alpha-E could open doors to potential therapeutic strategies. Its unique function in mediating T-lymphocyte adhesion positions it as a key target for modulating immune responses in various epithelial tissues.