Focused On-demand Library for Interleukin-17A

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.

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.

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 employ our advanced, specialised process to create targeted 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.

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

Q16552

UPID:

IL17_HUMAN

Alternative names:

Cytotoxic T-lymphocyte-associated antigen 8

Alternative UPACC:

Q16552; Q5T2P0

Background:

Interleukin-17A, also known as Cytotoxic T-lymphocyte-associated antigen 8, plays a pivotal role in the immune system. It acts as an effector cytokine in both innate and adaptive immunity, crucial for antimicrobial defense and tissue integrity. Through signaling via the IL17RA-IL17RC receptor complex, it activates NF-kappa-B and MAPkinase pathways, leading to the production of cytokines, chemokines, and matrix metalloproteinases. This process is essential for neutrophil activation, recruitment, and the maintenance of epithelial barriers.

Therapeutic significance:

Understanding the role of Interleukin-17A could open doors to potential therapeutic strategies. Its involvement in immune response modulation and tissue integrity maintenance highlights its potential as a target for treating inflammatory conditions and enhancing antimicrobial defense.