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

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.


We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by 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.


We employ our advanced, specialised process to create targeted libraries.


 

Fig. 1. The screening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.


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
Receptor.AI
 
UPACC
P08134

UPID:
RHOC_HUMAN

ALTERNATIVE NAMES:
Rho cDNA clone 9

ALTERNATIVE UPACC:
P08134; B3KSW1; Q6ICN3

BACKGROUND:
Rho-related GTP-binding protein RhoC, known alternatively as Rho cDNA clone 9, is integral to several cellular mechanisms. It orchestrates a signaling pathway that links plasma membrane receptors to the assembly of focal adhesions and actin stress fibers. RhoC also plays a crucial role in cytokinesis by facilitating the formation of the myosin contractile ring and is key in establishing apical junctions in bronchial epithelial cells.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Rho-related GTP-binding protein RhoC holds promise for uncovering novel therapeutic approaches. Given its critical role in cell cycle progression and epithelial cell integrity, targeting RhoC could lead to breakthroughs in treatments for disorders associated with these processes.

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