Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 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.
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.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q9Y5I7
UPID:
CLD16_HUMAN
Alternative names:
Paracellin-1
Alternative UPACC:
Q9Y5I7
Background:
Claudin-16, also known as Paracellin-1, is pivotal in tight junction-specific obliteration of the intercellular space, showcasing calcium-independent cell-adhesion activity. It plays a crucial role in paracellular magnesium reabsorption and is essential for selective paracellular conductance, potentially forming an intercellular pore for magnesium and calcium ions or acting as a magnesium concentration sensor.
Therapeutic significance:
Claudin-16's malfunction is linked to Hypomagnesemia 3, a renal disease marked by renal magnesium wasting, hypercalciuria, and nephrocalcinosis, leading to recurrent urinary tract infections and kidney stones. Understanding Claudin-16's function could pave the way for innovative treatments for this condition.