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.
We employ our advanced, specialised process to create targeted 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
P80098
UPID:
CCL7_HUMAN
Alternative names:
Monocyte chemoattractant protein 3; Monocyte chemotactic protein 3; NC28; Small-inducible cytokine A7
Alternative UPACC:
P80098; Q569J6
Background:
C-C motif chemokine 7, also known as Monocyte chemoattractant protein 3, plays a pivotal role in immune responses. It functions as a chemotactic factor, attracting monocytes and eosinophils, but not neutrophils, and enhances monocyte anti-tumor activity. Additionally, it induces the release of gelatinase B and can bind to heparin, as well as receptors CCR1, CCR2, and CCR3.
Therapeutic significance:
Understanding the role of C-C motif chemokine 7 could open doors to potential therapeutic strategies.