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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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 for receptors.
Fig. 1. The sreening workflow of Receptor.AI
It includes extensive molecular simulations of the receptor in its native membrane environment and the ensemble virtual screening accounting for its conformational mobility. In the case of dimeric or oligomeric receptors, the whole functional complex is modelled, and the tentative binding pockets are determined on and between the subunits to cover the whole spectrum of possible mechanisms of action.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P10828
UPID:
THB_HUMAN
Alternative names:
Nuclear receptor subfamily 1 group A member 2; c-erbA-2; c-erbA-beta
Alternative UPACC:
P10828; B3KU79; P37243; Q13986; Q3KP35; Q6WGL2; Q9UD41
Background:
Thyroid hormone receptor beta, known as Nuclear receptor subfamily 1 group A member 2, c-erbA-2, or c-erbA-beta, is a pivotal nuclear hormone receptor. It acts as a repressor or activator of transcription with high affinity for thyroid hormones, including triiodothyronine and thyroxine.
Therapeutic significance:
This receptor is implicated in several thyroid hormone resistance syndromes, such as generalized autosomal dominant and recessive thyroid hormone resistance, and selective pituitary thyroid hormone resistance. These conditions highlight the receptor's crucial role in thyroid hormone regulation and its potential as a therapeutic target.