Focused On-demand Library for Transforming protein RhoA

Available from Reaxense
Predicted by Alphafold

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.

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.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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

 Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.

Our library distinguishes itself through several key aspects:

  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.







Alternative names:

Rho cDNA clone 12

Alternative UPACC:

P61586; P06749; Q53HM4; Q5U024; Q9UDJ0; Q9UEJ4


Transforming protein RhoA, also known as Rho cDNA clone 12, is a pivotal small GTPase cycling between active GTP-bound and inactive GDP-bound states. It plays a crucial role in cytoskeleton organization, cell migration, cell cycle, and cellular responses regulation through its interaction with various effector proteins. RhoA is instrumental in the assembly of focal adhesions, actin stress fibers, and in the formation of the myosin contractile ring during cytokinesis. It also contributes to keratinocyte cell-cell adhesion and influences cell migration and adhesion assembly through SPATA13-mediated regulation.

Therapeutic significance:

RhoA's involvement in ectodermal dysplasia with facial dysmorphism and acral, ocular, and brain anomalies highlights its potential as a therapeutic target. Understanding the role of Transforming protein RhoA could open doors to potential therapeutic strategies.

Looking for more information on this library or underlying technology? Fill out the form below and we'll be in touch with all the details you need.
Thank you! Your submission has been received!
Oops! Something went wrong while submitting the form.