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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
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 stands out due to several important features:
partner
Reaxense
upacc
P22362
UPID:
CCL1_HUMAN
Alternative names:
Small-inducible cytokine A1; T lymphocyte-secreted protein I-309
Alternative UPACC:
P22362; B2R5G9; Q2M309
Background:
C-C motif chemokine 1, also known as Small-inducible cytokine A1 and T lymphocyte-secreted protein I-309, plays a pivotal role in immune responses. Identified by its unique ability to be chemotactic for monocytes but not neutrophils, it specifically binds to the CCR8 receptor. This specificity underscores its unique position in the chemokine family, orchestrating cellular movement and immune cell targeting.
Therapeutic significance:
Understanding the role of C-C motif chemokine 1 could open doors to potential therapeutic strategies. Its precise function in immune cell regulation and its exclusive interaction with CCR8 present intriguing possibilities for targeted therapy in immune-related disorders.