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.
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 promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
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 is unique due to several crucial aspects:
partner
Reaxense
upacc
P30304
UPID:
MPIP1_HUMAN
Alternative names:
Dual specificity phosphatase Cdc25A
Alternative UPACC:
P30304; Q8IZH5; Q96IL3; Q9H2F2
Background:
M-phase inducer phosphatase 1, also known as Dual specificity phosphatase Cdc25A, plays a pivotal role in cell cycle regulation. It acts as a tyrosine protein phosphatase, inducing mitotic progression in a dosage-dependent manner. By directly dephosphorylating CDK1 and enhancing its kinase activity, alongside dephosphorylating CDK2 in complex with cyclin E, this protein is essential for the precise control of cell division.
Therapeutic significance:
Understanding the role of M-phase inducer phosphatase 1 could open doors to potential therapeutic strategies. Its critical function in cell cycle regulation positions it as a key target for interventions in diseases characterized by uncontrolled cell proliferation.