Focused On-demand Library for Integrin beta-6

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.

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

Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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

P18564

UPID:

ITB6_HUMAN

Alternative names:

Alternative UPACC:

P18564; B2R9W5; C9JA97; Q0VA95; Q16500; Q53RG5; Q53RR6

Background:

Integrin beta-6, encoded by the gene with accession number P18564, plays a pivotal role in cell adhesion and signaling. It forms a receptor complex with integrin alpha-V, recognizing the R-G-D sequence in ligands such as fibronectin, cytotactin, and fibrillin-1. This interaction is crucial for various cellular processes, including TGF-beta-1 activation, which is essential for tissue repair and fibrosis. Additionally, integrin beta-6 facilitates the internalization of certain viruses, serving as a receptor for Coxsackievirus and Herpes simplex virus-1.

Therapeutic significance:

Given its involvement in TGF-beta-1 activation and cell adhesion, targeting integrin beta-6 could offer therapeutic avenues in treating fibrotic diseases and certain infections. Moreover, its association with Amelogenesis imperfecta 1H highlights its potential in dental enamel repair strategies. Understanding the role of Integrin beta-6 could open doors to potential therapeutic strategies.