Focused On-demand Library for M-phase inducer phosphatase 1

Focused On-demand Libraries - Reaxense Collaboration

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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

We employ our advanced, specialised process to create targeted 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:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

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.