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.
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
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q8N2Z9
UPID:
CENPS_HUMAN
Alternative names:
Apoptosis-inducing TAF9-like domain-containing protein 1; FANCM-associated histone fold protein 1; FANCM-interacting histone fold protein 1; Fanconi anemia-associated polypeptide of 16 kDa
Alternative UPACC:
Q8N2Z9; Q8NFE5; Q8NFG5
Background:
Centromere protein S, also known as Apoptosis-inducing TAF9-like domain-containing protein 1, plays a pivotal role in DNA repair and cell cycle regulation. It is a key component of the Fanconi anemia (FA) core complex, essential for DNA damage response, and stabilizes FANCM, enhancing cellular resistance to DNA cross-linking drugs. Its involvement in the formation of a functional kinetochore outer plate is crucial for accurate chromosome segregation during cell division.
Therapeutic significance:
Understanding the role of Centromere protein S could open doors to potential therapeutic strategies.