Focused On-demand Library for Integrin beta-8

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.

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.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.

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

P26012

UPID:

ITB8_HUMAN

Alternative names:

Alternative UPACC:

P26012; A4D133; B4DHD4

Background:

Integrin beta-8, encoded by the gene with accession number P26012, plays a pivotal role in cellular processes by acting as a receptor for fibronectin. It specifically recognizes the R-G-D sequence in its ligands, facilitating crucial interactions within the cellular matrix. This protein is part of the integrin alpha-V:beta-8 (ITGAV:ITGB8) complex, which is essential for various biological functions, including the regulation of transforming growth factor beta-1 (TGF-beta-1), a key factor in immune response modulation and tissue regeneration. Its involvement in vasculogenesis underscores its importance in vascular development and repair.

Therapeutic significance:

Understanding the role of Integrin beta-8 could open doors to potential therapeutic strategies. Its critical function in mediating the release and activation of TGF-beta-1 on the surface of regulatory T-cells highlights its potential as a target in modulating immune responses and in the treatment of diseases where TGF-beta-1 plays a key role.