Focused On-demand Library for C-C motif chemokine 16

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated 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

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 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

O15467

UPID:

CCL16_HUMAN

Alternative names:

Chemokine CC-4; Chemokine LEC; IL-10-inducible chemokine; LCC-1; Liver-expressed chemokine; Lymphocyte and monocyte chemoattractant; Monotactin-1; NCC-4; Small-inducible cytokine A16

Alternative UPACC:

O15467; Q4KKU0

Background:

C-C motif chemokine 16, known by various names such as Chemokine CC-4 and Liver-expressed chemokine, plays a crucial role in the immune system. It exhibits chemotactic activity for lymphocytes and monocytes, but not neutrophils, and possesses potent myelosuppressive properties, inhibiting the proliferation of myeloid progenitor cells. This protein's ability to induce a calcium flux in THP-1 cells highlights its significance in cellular signaling.

Therapeutic significance:

Understanding the role of C-C motif chemokine 16 could open doors to potential therapeutic strategies. Its involvement in chemotaxis and myelosuppression suggests its potential utility in modulating immune responses and treating conditions related to immune cell proliferation.