Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
O14965
UPID:
AURKA_HUMAN
Alternative names:
Aurora 2; Aurora/IPL1-related kinase 1; Breast tumor-amplified kinase; Ipl1- and aurora-related kinase 1; Serine/threonine-protein kinase 15; Serine/threonine-protein kinase 6; Serine/threonine-protein kinase Ayk1; Serine/threonine-protein kinase aurora-A
Alternative UPACC:
O14965; E1P5F9; O60445; O75873; Q9BQD6; Q9UPG5
Background:
Aurora kinase A, known by various names such as Aurora 2 and Serine/threonine-protein kinase 15, plays a pivotal role in cell cycle progression. It is involved in numerous mitotic events including spindle formation, centrosome duplication, and cytokinesis. Aurora kinase A's activity is crucial for chromosomal alignment and spindle assembly checkpoint, ensuring accurate cell division.
Therapeutic significance:
Understanding the role of Aurora kinase A could open doors to potential therapeutic strategies. Its involvement in critical cell cycle processes makes it a target for cancer research, aiming to disrupt the uncontrolled cell proliferation characteristic of cancerous cells.