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.
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.
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 use our state-of-the-art dedicated workflow for designing focused 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
P0C1S8
UPID:
WEE2_HUMAN
Alternative names:
Wee1-like protein kinase 1B; Wee1B kinase
Alternative UPACC:
P0C1S8
Background:
Wee1-like protein kinase 2, also known as Wee1B kinase, plays a pivotal role in oocyte maturation by regulating meiosis at both prophase I and metaphase II. It phosphorylates and inhibits CDK1/CDC2, maintaining meiotic arrest and ensuring proper egg activation.
Therapeutic significance:
Given its crucial role in oocyte maturation, understanding Wee1-like protein kinase 2 could open doors to potential therapeutic strategies for infertility disorders such as Oocyte/zygote/embryo maturation arrest 5.