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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
Our high-tech, dedicated method is applied to construct targeted 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q9NXG2
UPID:
THUM1_HUMAN
Alternative names:
-
Alternative UPACC:
Q9NXG2; Q9BWC3
Background:
THUMP domain-containing protein 1 plays a crucial role in cellular processes by mediating NAT10-dependent tRNA acetylation, specifically modifying cytidine to N4-acetylcytidine. This modification is vital for the proper functioning of tRNA molecules within the cell.
Therapeutic significance:
The protein is implicated in a neurodevelopmental disorder characterized by speech delay, intellectual deficiency, and ocular anomalies. Understanding the role of THUMP domain-containing protein 1 could open doors to potential therapeutic strategies for this disorder.