AI-ACCELERATED DRUG DISCOVERY

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

Available from Reaxense
Predicted by Alphafold

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

 Fig. 1. The sreening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse 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

Reaxense

upacc

Q7L0Q8

UPID:

RHOU_HUMAN

Alternative names:

CDC42-like GTPase 1; GTP-binding protein-like 1; Rho GTPase-like protein ARHU; Ryu GTPase; Wnt-1 responsive Cdc42 homolog 1

Alternative UPACC:

Q7L0Q8; B1AKN1; Q59FE9; Q8TDQ2

Background:

Rho-related GTP-binding protein RhoU, also known as CDC42-like GTPase 1 and several other alternative names, plays a pivotal role in cell cycle regulation, actin cytoskeleton organization, and cell migration. Despite lacking detectable GTPase activity, its high intrinsic guanine nucleotide exchange suggests it remains constitutively GTP-bound, influencing cell morphology and cytoskeletal organization.

Therapeutic significance:

Understanding the role of Rho-related GTP-binding protein RhoU could open doors to potential therapeutic strategies.

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