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 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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q8TAB3
UPID:
PCD19_HUMAN
Alternative names:
-
Alternative UPACC:
Q8TAB3; B0LDS4; E9PAM6; Q5JTG1; Q5JTG2; Q68DT7; Q9P2N3
Background:
Protocadherin-19, encoded by the gene with accession number Q8TAB3, is a calcium-dependent cell-adhesion protein. It plays a pivotal role in the formation and maintenance of neural connections in the brain. This protein is essential for proper brain development and function.
Therapeutic significance:
Developmental and epileptic encephalopathy 9, a severe neurological disorder marked by seizures, cognitive impairment, and developmental delays, is linked to mutations in Protocadherin-19. Understanding the role of Protocadherin-19 could open doors to potential therapeutic strategies for this condition, which predominantly affects females.