AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Interleukin-1 receptor antagonist protein

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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

 Fig. 1. The sreening workflow of Receptor.AI

It includes extensive molecular simulations of the receptor in its native membrane environment and the ensemble virtual screening accounting for its conformational mobility. In the case of dimeric or oligomeric receptors, the whole functional complex is modelled, and the tentative binding pockets are determined on and between the subunits to cover the whole spectrum of possible mechanisms of action.

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

P18510

UPID:

IL1RA_HUMAN

Alternative names:

ICIL-1RA; IL1 inhibitor

Alternative UPACC:

P18510; A8K4G1; Q14628; Q53SC2; Q7RTZ4; Q96GD6; Q9UPC0

Background:

The Interleukin-1 receptor antagonist protein (IL1RA), also known as ICIL-1RA and IL1 inhibitor, plays a crucial role in moderating the inflammatory response. It acts as an anti-inflammatory antagonist against proinflammatory cytokines like IL1B and IL1A, pivotal in immune regulation.

Therapeutic significance:

IL1RA's involvement in diseases such as Microvascular complications of diabetes 4 and Interleukin 1 receptor antagonist deficiency highlights its potential as a therapeutic target. Understanding IL1RA's function could lead to innovative treatments for these conditions.

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