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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner 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.
Our top-notch dedicated system is used to design specialised 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
Q5EE01
UPID:
CENPW_HUMAN
Alternative names:
Cancer-up-regulated gene 2 protein
Alternative UPACC:
Q5EE01; A6NIR0; A6NJC2
Background:
Centromere protein W, also known as Cancer-up-regulated gene 2 protein, plays a pivotal role in chromosome segregation during cell division. It is a key component of the CENPA-NAC complex, essential for kinetochore assembly, mitotic progression, and ensuring accurate chromosome segregation. Its ability to bind specifically to histone H3-containing nucleosomes at the centromere highlights its unique function in chromosomal stability.
Therapeutic significance:
Understanding the role of Centromere protein W could open doors to potential therapeutic strategies.