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

Focused On-demand Libraries - Receptor.AI 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.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by Reaxense.


The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.


We use our state-of-the-art dedicated workflow for designing focused libraries.


 

Fig. 1. The screening 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.


Our library is unique due to several crucial aspects:


  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.

  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.

  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.

  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

PARTNER
Receptor.AI
 
UPACC
P17081

UPID:
RHOQ_HUMAN

ALTERNATIVE NAMES:
Ras-like protein TC10; Ras-like protein family member 7A

ALTERNATIVE UPACC:
P17081; D6W5A6; Q0VGN1; Q52LS8; Q53SJ1; Q6NS39; Q6P146; Q7Z480

BACKGROUND:
RhoQ, known alternatively as Ras-like protein TC10 and Ras-like protein family member 7A, functions as a small GTPase associated with the plasma membrane. It transitions between active and inactive states, binding to effector proteins to regulate cellular responses. Its involvement in epithelial cell polarization and potential role in CFTR trafficking, as well as its capacity to generate filopodia, underscore its importance in cellular physiology.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Rho-related GTP-binding protein RhoQ holds promise for unveiling novel therapeutic approaches.

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