Focused On-demand Library for Rho-related GTP-binding protein Rho6

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.

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 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 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.

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

Reaxense

upacc

Q92730

UPID:

RND1_HUMAN

Alternative names:

Rho family GTPase 1; Rnd1

Alternative UPACC:

Q92730; A8K9P7

Background:

Rho-related GTP-binding protein Rho6, also known as Rho family GTPase 1 or Rnd1, plays a pivotal role in the regulation of the actin cytoskeleton. It is characterized by its inability to hydrolyze GTP, its low affinity for GDP, and its constitutive GTP binding. This protein is instrumental in controlling actin cytoskeleton rearrangements and induces Rac-dependent neuritic process formation by disrupting cortical actin filaments.

Therapeutic significance:

Understanding the role of Rho-related GTP-binding protein Rho6 could open doors to potential therapeutic strategies. Its involvement in actin cytoskeleton rearrangements and neuritic process formation positions it as a key target for research in neurodegenerative diseases and cancer metastasis.