Focused On-demand Library for Cell division control protein 42 homolog

Focused On-demand Libraries - Reaxense Collaboration

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.

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.

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.

Our top-notch dedicated system is used to design specialised 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.

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

P60953

UPID:

CDC42_HUMAN

Alternative names:

G25K GTP-binding protein

Alternative UPACC:

P60953; P21181; P25763; Q7L8R5; Q9UDI2

Background:

Cell division control protein 42 homolog, also known as G25K GTP-binding protein, plays a pivotal role in cellular processes including epithelial cell polarization, spindle microtubule attachment, and cell migration. It is essential for the formation of filopodia in neurons and podocytes, and is involved in dendritic spine structural plasticity and phagocytosis.

Therapeutic significance:

The protein's involvement in Takenouchi-Kosaki syndrome, characterized by macrothrombocytopenia, lymphedema, and developmental delays, highlights its potential as a target for therapeutic intervention. Understanding the role of Cell division control protein 42 homolog could open doors to potential therapeutic strategies.