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.
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.
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.
Our library stands out due to several important features:
partner
Reaxense
upacc
P16104
UPID:
H2AX_HUMAN
Alternative names:
Histone H2A.X
Alternative UPACC:
P16104; Q4ZGJ7; Q6IAS5
Background:
Histone H2AX, also known as variant histone H2A.X, plays a pivotal role in chromatin structure and DNA processes. It is essential for transcription regulation, DNA repair, replication, and chromosomal stability. Histone H2AX is crucial for cell cycle progression arrest in response to ionizing radiation and facilitates efficient DNA double strand break repair, especially when phosphorylated at its C-terminal.
Therapeutic significance:
Understanding the role of Histone H2AX could open doors to potential therapeutic strategies.