AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Interleukin-33

Available from Reaxense
Predicted by Alphafold

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.

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 employ our advanced, specialised process to create 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

O95760

UPID:

IL33_HUMAN

Alternative names:

Interleukin-1 family member 11; Nuclear factor from high endothelial venules

Alternative UPACC:

O95760; B2R8L1; B4DJ35; B4E1Q9; D3DRI5; E7EAX4; Q2YEJ5

Background:

Interleukin-33 (IL-33) is a pivotal cytokine within the IL-1 family, playing a crucial role in the maturation of Th2 cells and the activation of various immune cells, including mast cells and eosinophils. It functions as an 'alarmin' to amplify immune responses during tissue injury, and its involvement in mitochondrial rewiring underscores its importance in inflammation resolution.

Therapeutic significance:

Understanding the role of Interleukin-33 could open doors to potential therapeutic strategies, particularly in modulating immune responses and enhancing tissue repair mechanisms.

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