Focused On-demand Library for Interleukin-13

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.

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

P35225

UPID:

IL13_HUMAN

Alternative names:

Alternative UPACC:

P35225; O43644; Q4VB52; Q9UDC7

Background:

Interleukin-13 (IL-13) is a pivotal cytokine involved in allergic inflammation and immune responses to parasitic infections. It synergizes with IL2 to regulate interferon-gamma synthesis and stimulates the proliferation and activation of various immune cells. IL-13 plays a crucial role in modulating IL33 activity and antagonizes Th1-driven proinflammatory immune responses, partially through NF-kappa-B suppression.

Therapeutic significance:

Given its central role in allergic rhinitis and its ability to modulate immune responses, targeting IL-13 offers a promising avenue for therapeutic intervention in allergic diseases. Understanding the role of Interleukin-13 could open doors to potential therapeutic strategies.