Focused On-demand Library for Interleukin-18

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 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 methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of 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

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.