Focused On-demand Library for Interleukin-36 gamma

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

Our top-notch dedicated system is used to design specialised 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.

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

Q9NZH8

UPID:

IL36G_HUMAN

Alternative names:

IL-1-related protein 2; Interleukin-1 epsilon; Interleukin-1 family member 9; Interleukin-1 homolog 1

Alternative UPACC:

Q9NZH8; Q56B91; Q6UVX7; Q7RTZ9

Background:

Interleukin-36 gamma, also known as IL-1-related protein 2, plays a crucial role in the body's immune response. It activates key signaling pathways such as NF-kappa-B and MAPK in target cells, primarily involved in skin and lung inflammatory responses. This protein acts on various cells, including keratinocytes, dendritic cells, and T-cells, promoting tissue infiltration, cell maturation, and proliferation. It also induces the expression of several chemokines and pro-inflammatory parameters, highlighting its significant role in inflammation.

Therapeutic significance:

Understanding the role of Interleukin-36 gamma could open doors to potential therapeutic strategies. Its involvement in skin and lung inflammation suggests it could be a target for treating related disorders, offering new avenues for drug discovery and development.