Focused On-demand Library for C-C motif chemokine 13

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We use our state-of-the-art dedicated workflow for designing focused libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.

Our library stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

Q99616

UPID:

CCL13_HUMAN

Alternative names:

CK-beta-10; Monocyte chemoattractant protein 4; Monocyte chemotactic protein 4; NCC-1; Small-inducible cytokine A13

Alternative UPACC:

Q99616; O95689; Q6ICQ6

Background:

C-C motif chemokine 13, also known as Monocyte chemoattractant protein 4 (MCP-4), plays a pivotal role in immune responses. It functions as a chemotactic factor, attracting monocytes, lymphocytes, basophils, and eosinophils, signaling through CCR2B and CCR3 receptors. Its involvement is crucial in the accumulation of leukocytes during both allergic and non-allergic inflammation, and it has a significant role in atherosclerosis by recruiting monocytes into the arterial wall.

Therapeutic significance:

Understanding the role of C-C motif chemokine 13 could open doors to potential therapeutic strategies, especially in treating inflammatory conditions and atherosclerosis by modulating leukocyte recruitment.