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.
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.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
We employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
P51955
UPID:
NEK2_HUMAN
Alternative names:
HSPK 21; Never in mitosis A-related kinase 2; NimA-like protein kinase 1
Alternative UPACC:
P51955; Q53FD6; Q5I1Z9; Q5VXZ1; Q6NZX8; Q7Z634; Q86XH2; Q96QN9
Background:
Serine/threonine-protein kinase Nek2, also known as HSPK 21, Never in mitosis A-related kinase 2, and NimA-like protein kinase 1, plays a pivotal role in cell cycle regulation. It is instrumental in centrosome separation, bipolar spindle formation in mitotic cells, and chromatin condensation in meiotic cells. Nek2 achieves this by phosphorylating various centrosomal proteins, thereby ensuring accurate chromosome separation and cell division.
Therapeutic significance:
Given its crucial role in cell cycle regulation, Nek2 is directly linked to Retinitis pigmentosa 67, a retinal dystrophy characterized by loss of vision. Understanding the role of Serine/threonine-protein kinase Nek2 could open doors to potential therapeutic strategies for this and related diseases.