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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
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:
Antigen peptide transporter 1, also known as ATP-binding cassette sub-family B member 2, plays a pivotal 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 crucial for the activation of cytotoxic T cells, highlighting the transporter's integral role in cellular immunity.
Therapeutic significance:
Bare lymphocyte syndrome 1, a disease linked to mutations in the gene encoding Antigen peptide transporter 1, underscores the protein's clinical relevance. This condition, characterized by chronic respiratory infections, highlights the transporter's role in immune surveillance. Understanding the role of Antigen peptide transporter 1 could open doors to potential therapeutic strategies for enhancing immune response against infections and possibly tumors.