AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Antigen peptide transporter 2

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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

 Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.

Our library is unique due to several crucial aspects:

  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

Q03519

UPID:

TAP2_HUMAN

Alternative names:

ATP-binding cassette sub-family B member 3; Peptide supply factor 2; Peptide transporter PSF2; Peptide transporter TAP2; Peptide transporter involved in antigen processing 2; Really interesting new gene 11 protein

Alternative UPACC:

Q03519; B0V2J8; O95410; Q53FI6; Q5HY71; Q96PT8; Q9UQ83

Background:

Antigen peptide transporter 2, also known as ATP-binding cassette sub-family B member 3, plays a crucial role in immune defense. It facilitates the transport of peptide antigens from the cytosol to the endoplasmic reticulum, enabling their presentation on MHC class I molecules. This process is vital for the activation of cytotoxic T cells, highlighting the protein's significance in cellular immunity.

Therapeutic significance:

The protein's association with Bare lymphocyte syndrome 1, a condition marked by HLA class I deficiency and chronic respiratory infections, underscores its therapeutic potential. Targeting Antigen peptide transporter 2 could lead to innovative treatments for immune disorders, offering hope for patients with compromised immune systems.

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