Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 high-tech, dedicated method is applied to construct targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.
Key features that set our library apart include:
partner
Reaxense
upacc
P42830
UPID:
CXCL5_HUMAN
Alternative names:
ENA-78(1-78); Epithelial-derived neutrophil-activating protein 78; Neutrophil-activating peptide ENA-78; Small-inducible cytokine B5
Alternative UPACC:
P42830; Q96QE1
Background:
C-X-C motif chemokine 5, known by alternative names such as ENA-78(1-78), Epithelial-derived neutrophil-activating protein 78, and Neutrophil-activating peptide ENA-78, plays a pivotal role in neutrophil activation. Its chemotactic activity significantly influences neutrophil granulocytes, showcasing a threefold increase in vitro with ENA-78(8-78) and ENA-78(9-78).
Therapeutic significance:
Understanding the role of C-X-C motif chemokine 5 could open doors to potential therapeutic strategies. Its critical function in neutrophil activation positions it as a key target for developing treatments aimed at modulating immune responses.