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.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
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.
Our top-notch dedicated system is used to design specialised libraries.
Fig. 1. The sreening workflow of Receptor.AI
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P13500
UPID:
CCL2_HUMAN
Alternative names:
HC11; Monocyte chemoattractant protein 1; Monocyte chemotactic and activating factor; Monocyte chemotactic protein 1; Monocyte secretory protein JE; Small-inducible cytokine A2
Alternative UPACC:
P13500; B2R4V3; Q9UDF3
Background:
C-C motif chemokine 2, also known by alternative names such as Monocyte chemoattractant protein 1 and Monocyte chemotactic protein 1, plays a pivotal role in immune responses. It acts as a ligand for C-C chemokine receptor CCR2, signaling through binding and activation of CCR2. This protein induces a strong chemotactic response and mobilization of intracellular calcium ions, showcasing chemotactic activity for monocytes and basophils, but not neutrophils or eosinophils.
Therapeutic significance:
Understanding the role of C-C motif chemokine 2 could open doors to potential therapeutic strategies. Its involvement in the recruitment of monocytes into the arterial wall during the disease process of atherosclerosis highlights its significance in cardiovascular diseases, suggesting avenues for therapeutic intervention.