AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Interleukin-1 alpha

Available from Reaxense
Predicted by Alphafold

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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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

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

P01583

UPID:

IL1A_HUMAN

Alternative names:

Hematopoietin-1

Alternative UPACC:

P01583; Q53QF9; Q7RU02

Background:

Interleukin-1 alpha, also known as Hematopoietin-1, is a pivotal cytokine present in almost all non-hematopoietic resting cells. It plays a crucial role in inflammation, linking innate and adaptive immunity. This protein, after binding to its receptor IL1R1 and accessory protein IL1RAP, initiates signaling that activates NF-kappa-B and MAPK pathways, crucial for immune responses. Additionally, it acts as an alarmin, signaling cell damage or stress.

Therapeutic significance:

Understanding the role of Interleukin-1 alpha could open doors to potential therapeutic strategies. Its involvement in inflammation and immune system bridging highlights its potential as a target for treating inflammatory diseases and enhancing vaccine efficacy.

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