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.
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.
Our top-notch dedicated system is used to design specialised 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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q9NZQ7
UPID:
PD1L1_HUMAN
Alternative names:
B7 homolog 1
Alternative UPACC:
Q9NZQ7; B2RBA2; B4DU27; Q14CJ2; Q2V8D5; Q66RK1; Q6WEX4; Q9NUZ5
Background:
Programmed cell death 1 ligand 1 (PD-L1), also known as B7 homolog 1, plays a pivotal role in the induction and maintenance of immune tolerance. It serves as a ligand for the inhibitory receptor PDCD1/PD-1, modulating T-cell activation thresholds and limiting effector responses. Additionally, PD-L1 may activate T-cell subsets that predominantly produce interleukin-10 (IL10), although the specific activating receptor remains unidentified.
Therapeutic significance:
The PD-L1/PDCD1 pathway is crucial for tumor cells to evade immune destruction, highlighting its significance in cancer immunotherapy. Blocking this pathway rejuvenates exhausted T-cells, normalizing anti-tumor responses and offering a promising strategy for treating various cancers.