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.
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.
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 high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Several key aspects differentiate our library:
partner
Reaxense
upacc
P05107
UPID:
ITB2_HUMAN
Alternative names:
Cell surface adhesion glycoproteins LFA-1/CR3/p150,95 subunit beta; Complement receptor C3 subunit beta
Alternative UPACC:
P05107; B3KTS8; D3DSM1; Q16418; Q53HS5; Q9UD72
Background:
Integrin beta-2, also known as Integrin ITGAL/ITGB2, plays a pivotal role in immune response, mediating leukocyte adhesion, transmigration, and natural killer cell cytotoxicity. It serves as a receptor for ICAMs, fibrinogen, and the complement component, facilitating crucial interactions in the immune system.
Therapeutic significance:
Given its involvement in Leukocyte adhesion deficiency 1 (LAD1), where patients suffer from recurrent bacterial infections due to leukocyte function deficiencies, targeting Integrin beta-2 could offer therapeutic avenues for enhancing immune response and treating LAD1.