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.
We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
Q96GD4
UPID:
AURKB_HUMAN
Alternative names:
Aurora 1; Aurora- and IPL1-like midbody-associated protein 1; Aurora/IPL1-related kinase 2; STK-1; Serine/threonine-protein kinase 12; Serine/threonine-protein kinase 5; Serine/threonine-protein kinase aurora-B
Alternative UPACC:
Q96GD4; B4DNM4; C7G533; C7G534; C7G535; D3DTR4; J9JID1; O14630; O60446; O95083; Q96DV5; Q9UQ46
Background:
Aurora kinase B, known by alternative names such as Aurora 1 and Serine/threonine-protein kinase aurora-B, is a pivotal component of the chromosomal passenger complex (CPC). This complex is crucial for mitosis regulation, ensuring correct chromosome alignment, segregation, and spindle assembly. Aurora kinase B's role extends to the bipolar attachment of spindle microtubules to kinetochores, cytokinesis onset, and cleavage furrow formation. It also phosphorylates various substrates involved in centromeric functions and mitosis, including INCENP, which increases its activity.
Therapeutic significance:
Understanding the role of Aurora kinase B could open doors to potential therapeutic strategies.