Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Our library stands out due to several important features:
partner
Reaxense
upacc
P30307
UPID:
MPIP3_HUMAN
Alternative names:
Dual specificity phosphatase Cdc25C
Alternative UPACC:
P30307; D3DQB8; Q96PL3; Q9H168; Q9H2E8; Q9H2E9; Q9H2F1
Background:
M-phase inducer phosphatase 3, also known as Dual specificity phosphatase Cdc25C, plays a pivotal role in cell cycle regulation. It functions as a dosage-dependent inducer in mitotic control, essential for the progression of the cell cycle. By directly dephosphorylating CDK1, it activates kinase activity, propelling G2 phase cells into prophase.
Therapeutic significance:
Understanding the role of M-phase inducer phosphatase 3 could open doors to potential therapeutic strategies. Its critical function in cell cycle regulation highlights its potential as a target in diseases characterized by dysregulated cell proliferation.