Focused On-demand Library for Rho-related GTP-binding protein RhoC

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.

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.

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.

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

Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.

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

P08134

UPID:

RHOC_HUMAN

Alternative names:

Rho cDNA clone 9

Alternative UPACC:

P08134; B3KSW1; Q6ICN3

Background:

The Rho-related GTP-binding protein RhoC, also known as Rho cDNA clone 9, plays a pivotal role in cellular processes. It regulates signal transduction pathways that connect plasma membrane receptors with the formation of focal adhesions and actin stress fibers. Additionally, RhoC is essential for myosin contractile ring formation during cell cycle cytokinesis and is involved in apical junction formation in bronchial epithelial cells.

Therapeutic significance:

Understanding the role of Rho-related GTP-binding protein RhoC could open doors to potential therapeutic strategies. Its involvement in critical cellular processes suggests that modulating its activity could offer new avenues for treating diseases related to cell division and epithelial cell function.