Focused On-demand Library for T-cell surface glycoprotein CD1a

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.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.


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


 

Fig. 1. The screening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of 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
P06126

UPID:
CD1A_HUMAN

ALTERNATIVE NAMES:
T-cell surface antigen T6/Leu-6

ALTERNATIVE UPACC:
P06126; D3DVD7; Q13962; Q5TDJ8; Q9UMM4; Q9Y5M5

BACKGROUND:
The T-cell surface glycoprotein CD1a, alternatively known as T-cell surface antigen T6/Leu-6, is essential for the immune response. It binds and presents lipid and glycolipid antigens to T-cell receptors on natural killer T-cells, facilitating their activation. This antigen-presenting protein's ability to recognize a broad range of antigens makes it a key player in the immune system's ability to respond to pathogens and abnormal cells.

THERAPEUTIC SIGNIFICANCE:
Exploring the functionalities of T-cell surface glycoprotein CD1a offers promising avenues for developing novel immunotherapies. Given its crucial role in antigen presentation to natural killer T-cells, targeting CD1a could lead to innovative treatments that boost the immune system's capacity to fight infections, cancer, and other diseases.

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