Focused On-demand Library for Integrin beta-8

Focused On-demand Libraries - Receptor.AI 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. Reaxense helps in synthesizing and delivering these compounds.


The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.


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


 

Fig. 1. The screening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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
Receptor.AI
 
UPACC
P26012

UPID:
ITB8_HUMAN

ALTERNATIVE NAMES:
-

ALTERNATIVE UPACC:
P26012; A4D133; B4DHD4

BACKGROUND:
The protein Integrin beta-8, with the unique identifier P26012, serves as a crucial receptor for fibronectin, recognizing the R-G-D sequence in its ligands. This recognition is vital for the activation of transforming growth factor beta-1 (TGF-beta-1) on activated regulatory T-cells, a process mediated by the integrin alpha-V:beta-8 (ITGAV:ITGB8) and alpha-V:beta-6 (ITGAV:ITGB6) complexes. Such activation is instrumental in immune regulation and cellular repair mechanisms. Additionally, Integrin beta-8's role in vasculogenesis indicates its significance in the formation and repair of vascular tissues.

THERAPEUTIC SIGNIFICANCE:
The exploration of Integrin beta-8's functions offers promising avenues for therapeutic intervention. Given its involvement in the activation of TGF-beta-1, a critical growth factor in immune regulation and tissue repair, targeting Integrin beta-8 could lead to innovative treatments for conditions associated with immune dysfunction and impaired tissue regeneration.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.


Page 8731 of 8789