Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We utilise our cutting-edge, exclusive workflow to develop 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.
Our library stands out due to several important features:
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.