Focused On-demand Library for Activated CDC42 kinase 1

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.

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.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

Our high-tech, dedicated method is applied to construct targeted 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.

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

Q07912

UPID:

ACK1_HUMAN

Alternative names:

Tyrosine kinase non-receptor protein 2

Alternative UPACC:

Q07912; Q6ZMQ0; Q8N6U7; Q96H59

Background:

Activated CDC42 kinase 1, also known as Tyrosine kinase non-receptor protein 2, plays a pivotal role in various cellular processes including cell migration, survival, growth, and proliferation. It acts by phosphorylating key proteins such as AKT1, AR, and EGFR, influencing both cytosolic and nuclear signaling pathways. Its interaction with CDC42 highlights its importance in cell migration, emphasizing its role in synaptic function and brain development.

Therapeutic significance:

Understanding the role of Activated CDC42 kinase 1 could open doors to potential therapeutic strategies. Its involvement in critical signaling pathways and cell processes underscores its potential as a target for drug discovery, aiming to modulate its activity for therapeutic benefits.