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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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 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 distinguishes itself through several key aspects:
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.