Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.
We use our state-of-the-art dedicated workflow for designing focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P06729
UPID:
CD2_HUMAN
Alternative names:
Erythrocyte receptor; LFA-2; LFA-3 receptor; Rosette receptor; T-cell surface antigen T11/Leu-5
Alternative UPACC:
P06729; Q96TE5
Background:
T-cell surface antigen CD2, also known as Erythrocyte receptor, LFA-2, LFA-3 receptor, Rosette receptor, and T-cell surface antigen T11/Leu-5, plays a pivotal role in mediating adhesion between T-cells and other cell types. It is essential for the triggering of T-cells, with its cytoplasmic domain being crucial for signaling functions.
Therapeutic significance:
Understanding the role of T-cell surface antigen CD2 could open doors to potential therapeutic strategies.