AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Interleukin-18

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.

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 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 high-tech, dedicated method is applied to construct 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 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

Q14116

UPID:

IL18_HUMAN

Alternative names:

Iboctadekin; Interferon gamma-inducing factor; Interleukin-1 gamma

Alternative UPACC:

Q14116; O75599; Q6FGY3; Q6WWJ7

Background:

Interleukin-18, known by alternative names such as Iboctadekin, Interferon gamma-inducing factor, and Interleukin-1 gamma, plays a pivotal role in immune response regulation. It is a pro-inflammatory cytokine, crucial for epithelial barrier repair, and orchestrates polarized T-helper 1 (Th1) cell and natural killer (NK) cell responses. The protein activates NF-kappa-B via binding to IL18R1 and IL18RAP, leading to the synthesis of inflammatory mediators.

Therapeutic significance:

Understanding the role of Interleukin-18 could open doors to potential therapeutic strategies. Its involvement in the immune response and inflammation suggests its potential as a target for treating various inflammatory conditions.

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