Focused On-demand Library for Antigen peptide transporter 1

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 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.


Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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
Q03518

UPID:
TAP1_HUMAN

ALTERNATIVE NAMES:
ATP-binding cassette sub-family B member 2; Peptide supply factor 1; Peptide transporter PSF1; Peptide transporter TAP1; Peptide transporter involved in antigen processing 1; Really interesting new gene 4 protein

ALTERNATIVE UPACC:
Q03518; Q16149; Q96CP4

BACKGROUND:
The Antigen peptide transporter 1, known for its association with antigen processing, is essential for immune system functionality. By transporting peptide antigens for loading onto MHC class I molecules, it ensures the immune system can recognize and respond to pathogens effectively. Its ability to select peptides based on hydrophobicity and charge underscores its specificity and importance in immune regulation.

THERAPEUTIC SIGNIFICANCE:
Given its critical role in immune surveillance, mutations affecting Antigen peptide transporter 1, as seen in Bare lymphocyte syndrome 1, highlight the protein's therapeutic potential. Targeting the transporter's function could lead to novel treatments for immune deficiencies and enhance our ability to combat persistent infections. Understanding the role of Antigen peptide transporter 1 could open doors to potential therapeutic strategies.

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