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.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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.
Fig. 1. The sreening workflow of Receptor.AI
Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.
Key features that set our library apart include:
partner
Reaxense
upacc
Q15649
UPID:
ZNHI3_HUMAN
Alternative names:
HNF-4a coactivator; Thyroid hormone receptor interactor 3; Thyroid receptor-interacting protein 3
Alternative UPACC:
Q15649; A8K493; K7EQP1; Q8WVJ3
Background:
Zinc finger HIT domain-containing protein 3, also known as HNF-4a coactivator, Thyroid hormone receptor interactor 3, and Thyroid receptor-interacting protein 3, plays a pivotal role in cellular processes. Despite its critical functions, the comprehensive understanding of its mechanisms remains to be fully elucidated.
Therapeutic significance:
Linked to PEHO syndrome, a severe condition marked by encephalopathy and early onset epileptic seizures, this protein's study could lead to groundbreaking therapeutic interventions. Understanding the role of Zinc finger HIT domain-containing protein 3 could open doors to potential therapeutic strategies.