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.
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.
We use our state-of-the-art dedicated workflow for designing focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
O15533
UPID:
TPSN_HUMAN
Alternative names:
NGS-17; TAP-associated protein; TAP-binding protein
Alternative UPACC:
O15533; A2AB91; A2ABC0; B0V003; B0V0A6; B2ZUA4; E9PGM2; O15210; O15272; Q5STJ8; Q5STK6; Q5STQ5; Q5STQ6; Q66K65; Q96KK7; Q9HAN8; Q9UEE0; Q9UEE4; Q9UIZ6; Q9Y6K2
Background:
Tapasin, also known as NGS-17 or TAP-binding protein, plays a crucial role in immune response. It facilitates the association of MHC class I molecules with the transporter associated with antigen processing (TAP) and assists in the assembly of MHC class I with peptides, a process vital for antigen presentation.
Therapeutic significance:
Tapasin's involvement in Bare Lymphocyte Syndrome 1, characterized by chronic respiratory infections due to HLA class I deficiency, underscores its therapeutic potential. Enhancing Tapasin function could offer new strategies for treating this immune disorder.