Focused On-demand Library for Antigen peptide transporter 2

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

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

Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your 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.