Focused On-demand Library for ICOS ligand

Details

Focused On-demand Libraries - Receptor.AI 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 pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by Reaxense.


The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.


We employ our advanced, specialised process to create targeted libraries.


 

Fig. 1. The screening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse 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
Receptor.AI
 
UPACC
O75144

UPID:
ICOSL_HUMAN

ALTERNATIVE NAMES:
B7 homolog 2; B7-like protein Gl50; B7-related protein 1

ALTERNATIVE UPACC:
O75144; A8MUZ1; Q9HD18; Q9NRQ1

BACKGROUND:
ICOS ligand, alternatively named B7 homolog 2, B7-like protein Gl50, and B7-related protein 1, is crucial for the activation and proliferation of T-cells and B-cells. By acting as a ligand for the ICOS receptor on T-cells, it not only supports T-cell proliferation and cytokine secretion but also influences B-cell proliferation and their differentiation into plasma cells. This function underscores its importance in mediating tissue responses to inflammation and in the co-stimulation of memory T-cell function, which is vital for a robust secondary immune response.

THERAPEUTIC SIGNIFICANCE:
Exploring the functionalities of ICOS ligand offers a promising avenue for devising novel therapeutic approaches aimed at bolstering immune system efficacy, thereby providing a foundation for the development of innovative treatments for immune-related disorders.

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