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 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 utilise our cutting-edge, exclusive workflow to develop focused libraries.


 

Fig. 1. The screening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across 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
P10747

UPID:
CD28_HUMAN

ALTERNATIVE NAMES:
TP44

ALTERNATIVE UPACC:
P10747; A8KAC1; Q13964; Q52M23; Q70WG0; Q8NI54; Q8NI55; Q8NI56; Q8WXJ2; Q9BYV0

BACKGROUND:
The protein T-cell-specific surface glycoprotein CD28, alternatively named TP44, is integral to the functioning of the immune system. It facilitates T-cell activation, promotes cell proliferation, cytokine production, and ensures T-cell survival. This protein is also involved in enhancing the production of IL4 and IL10 within T-cells through the synergy of TCR/CD3 ligation and CD40L costimulation. Additionally, its isoform 3 aids in the activation of NF-kappa-B and kinases MAPK8 and PAK2 in T-cells, triggered by CD40L.

THERAPEUTIC SIGNIFICANCE:
Exploring the functionalities of T-cell-specific surface glycoprotein CD28 holds promise for unveiling novel therapeutic avenues.

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.