Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.
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
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P30291
UPID:
WEE1_HUMAN
Alternative names:
Wee1A kinase
Alternative UPACC:
P30291; B3KVE1; D3DQV0
Background:
Wee1-like protein kinase, also known as Wee1A kinase, plays a pivotal role in cell cycle regulation by inhibiting the G2 to M phase transition. It achieves this by phosphorylating CDK1 on 'Tyr-15', inactivating the cyclin B1-CDK1 complex, with its activity peaking during the G2 phase and diminishing as cells enter the M phase. This regulation ensures proper cell division and prevents premature mitosis.
Therapeutic significance:
Understanding the role of Wee1-like protein kinase could open doors to potential therapeutic strategies. Its critical function in cell cycle regulation highlights its potential as a target in cancer therapy, where cell division is often uncontrolled.