Focused On-demand Library for Interleukin-36 receptor antagonist protein

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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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.

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

Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

Q9UBH0

UPID:

I36RA_HUMAN

Alternative names:

FIL1 delta; IL-1-related protein 3; Interleukin-1 HY1; Interleukin-1 delta; Interleukin-1 family member 5; Interleukin-1 receptor antagonist homolog 1; Interleukin-1-like protein 1

Alternative UPACC:

Q9UBH0; A8K2I4; Q56AT9; Q7RTZ6

Background:

The Interleukin-36 receptor antagonist protein, known by alternative names such as FIL1 delta and Interleukin-1 family member 5, plays a crucial role in modulating inflammation. It inhibits the activity of interleukin-36 by binding to receptor IL1RL2, preventing its association with the coreceptor IL1RAP, thus impacting the IL-36 signaling system present in epithelial barriers and contributing to local inflammatory responses.

Therapeutic significance:

Given its pivotal role in skin inflammation and innate immune response, particularly in conditions like Psoriasis 14, pustular, characterized by severe skin eruptions and inflammation, the Interleukin-36 receptor antagonist protein represents a promising target for therapeutic intervention. Understanding its function could lead to novel treatments for inflammatory skin diseases.