Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 employ our advanced, specialised process to create targeted 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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
A0A5B6
UPID:
TVB28_HUMAN
Alternative names:
-
Alternative UPACC:
A0A5B6; A0A0G2JN94
Background:
The T cell receptor beta variable 28 (TCR beta variable 28) plays a pivotal role in the immune response, recognizing peptide-major histocompatibility complexes presented by antigen-presenting cells. This recognition is crucial for T cell activation and adaptive immunity against pathogens. The protein is involved in key signaling pathways, including calcium, MAPK kinase, and NF-kB, essential for T cell growth and differentiation.
Therapeutic significance:
Understanding the role of T cell receptor beta variable 28 could open doors to potential therapeutic strategies.