Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.
We use our state-of-the-art dedicated workflow for designing focused 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q96H22
UPID:
CENPN_HUMAN
Alternative names:
Interphase centromere complex protein 32
Alternative UPACC:
Q96H22; A8MZE6; B3KN53; B4DJD1; B4DPY7; C9JJM5; D3DUK8; E7ES30; E7ETS3; Q9NZ83
Background:
Centromere protein N (CENPN), also known as Interphase centromere complex protein 32, is pivotal in kinetochore assembly, mitotic progression, and chromosome segregation. It is the first to bind CENPA nucleosomes, essential for centromere assembly and chromosome alignment during metaphase.
Therapeutic significance:
Understanding the role of Centromere protein N could open doors to potential therapeutic strategies.