Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.
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.
Our high-tech, dedicated method is applied to construct 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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P24941
UPID:
CDK2_HUMAN
Alternative names:
Cell division protein kinase 2; p33 protein kinase
Alternative UPACC:
P24941; A8K7C6; O75100
Background:
Cyclin-dependent kinase 2 (CDK2), also known as p33 protein kinase, plays a pivotal role in cell cycle control, particularly in the transition from G1 to S phase and G2 to mitosis. It phosphorylates a variety of substrates including CTNNB1 and p53, influencing DNA synthesis, centrosome duplication, and cellular proliferation. CDK2's activity peaks during S phase and G2, facilitated by its interaction with cyclins E and A2, orchestrating the delicate balance between cell division, death, and DNA repair.
Therapeutic significance:
Understanding the role of Cyclin-dependent kinase 2 could open doors to potential therapeutic strategies.