Focused On-demand Library for C-C motif chemokine 18

Focused On-demand Libraries - Reaxense Collaboration

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

We employ our advanced, specialised process to create 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.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

P55774

UPID:

CCL18_HUMAN

Alternative names:

Alternative macrophage activation-associated CC chemokine 1; CC chemokine PARC; Dendritic cell chemokine 1; Macrophage inflammatory protein 4; Pulmonary and activation-regulated chemokine; Small-inducible cytokine A18

Alternative UPACC:

P55774; B5BUM2; Q53X71

Background:

C-C motif chemokine 18, known by alternative names such as Alternative macrophage activation-associated CC chemokine 1, CC chemokine PARC, and Pulmonary and activation-regulated chemokine, plays a pivotal role in immune responses. It acts as a chemotactic factor, attracting lymphocytes and influencing the migration of B-cells into follicles in lymph nodes. Its ability to attract naive T-lymphocytes toward dendritic cells and activated macrophages highlights its significance in both humoral and cell-mediated immunity.

Therapeutic significance:

Understanding the role of C-C motif chemokine 18 could open doors to potential therapeutic strategies. Its involvement in directing immune cell traffic suggests its potential as a target in modulating immune responses, offering pathways for innovative treatments in immune-related disorders.