Focused On-demand Library for M-phase inducer phosphatase 3

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

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 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.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

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.