Focused On-demand Libraries - Receptor.AI 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. Reaxense aids in their synthesis and provision.


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.


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


 

Fig. 1. The screening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.


Our library stands out due to several important features:


  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.

  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.

  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.

  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.


PARTNER
Receptor.AI
 
UPACC
P61587

UPID:
RND3_HUMAN

ALTERNATIVE NAMES:
Protein MemB; Rho family GTPase 3; Rho-related GTP-binding protein Rho8; Rnd3

ALTERNATIVE UPACC:
P61587; D3DP95; P52199

BACKGROUND:
The Rho-related GTP-binding protein RhoE, with alternative names such as Protein MemB, Rho family GTPase 3, and Rho8, plays a pivotal role in the Rho GTPase family. Unlike its counterparts, RhoE binds GTP without intrinsic GTPase activity and is not affected by Rho-specific GTPase-activating proteins, highlighting its unique function in cellular signaling and regulation.

THERAPEUTIC SIGNIFICANCE:
Exploring the function of Rho-related GTP-binding protein RhoE is crucial for identifying novel therapeutic approaches. Its distinct mechanism of action and resistance to conventional regulatory proteins position it as a potential target for developing drugs that can precisely modulate its pathway in various diseases.

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