AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for C-X-C motif chemokine 10

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.

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.

Several key aspects differentiate our library:

  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

P02778

UPID:

CXL10_HUMAN

Alternative names:

10 kDa interferon gamma-induced protein; Small-inducible cytokine B10

Alternative UPACC:

P02778; Q96QJ5

Background:

C-X-C motif chemokine 10 (CXCL10), also known as 10 kDa interferon gamma-induced protein or Small-inducible cytokine B10, plays a pivotal role in immune responses. It is a pro-inflammatory cytokine involved in processes such as chemotaxis, cell differentiation, and activation of peripheral immune cells. CXCL10's interaction with the CXCR3 receptor activates G protein-mediated signaling, leading to intracellular calcium production and actin reorganization. This facilitates the recruitment of Th1 lymphocytes at inflammation sites and is crucial for neuronal reorganization post-brain injury.

Therapeutic significance:

Understanding the role of C-X-C motif chemokine 10 could open doors to potential therapeutic strategies.

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