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.
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 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
P05543
UPID:
THBG_HUMAN
Alternative names:
Serpin A7; T4-binding globulin
Alternative UPACC:
P05543; D3DUX1
Background:
Thyroxine-binding globulin (TBG), also known as Serpin A7 and T4-binding globulin, serves as the principal transporter of thyroid hormones in the serum. Its pivotal role in maintaining thyroid hormone homeostasis underscores its significance in human physiology.
Therapeutic significance:
Understanding the role of Thyroxine-binding globulin could open doors to potential therapeutic strategies. Its critical function in thyroid hormone distribution highlights its potential impact on metabolic regulation and therapeutic interventions.