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 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.
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.
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.
Our library stands out due to several important features:
partner
Reaxense
upacc
P49450
UPID:
CENPA_HUMAN
Alternative names:
Centromere autoantigen A; Centromere protein A
Alternative UPACC:
P49450; D6W544; Q53T74; Q9BVW2
Background:
Histone H3-like centromeric protein A, also known as Centromere autoantigen A or Centromere protein A, plays a pivotal role in centromeric nucleosomes. It replaces conventional H3, subtly modifying nucleosome structure and DNA wrapping, leading to protruding DNA ends. This protein is crucial for kinetochore proteins' recruitment and assembly, impacting mitosis, chromosome segregation, and cytokinesis.
Therapeutic significance:
Understanding the role of Histone H3-like centromeric protein A could open doors to potential therapeutic strategies.