Focused On-demand Library for Interleukin-4

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 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.

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

P05112

UPID:

IL4_HUMAN

Alternative names:

B-cell stimulatory factor 1; Binetrakin; Lymphocyte stimulatory factor 1; Pitrakinra

Alternative UPACC:

P05112; Q14630; Q6NZ77

Background:

Interleukin-4 (IL-4), encoded by the P05112 gene, is a pivotal cytokine secreted by mast cells, T-cells, eosinophils, and basophils. It plays a crucial role in regulating antibody production, hematopoiesis, inflammation, and T-cell responses. IL-4 induces class II MHC molecules expression on B-cells, enhances IgE and IgG1 secretion, and regulates CD23 expression on lymphocytes and monocytes. It also promotes IL31RA expression in macrophages, stimulates autophagy in dendritic cells, and supports brain functions like memory and learning.

Therapeutic significance:

Given its involvement in ischemic stroke, a condition leading to brain tissue death and loss of function due to vascular occlusion, IL-4's understanding could pave the way for innovative therapeutic strategies targeting this complex disease with multiple genetic and environmental factors.