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 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 for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.


Key features that set our library apart include:


  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.

  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.

  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.

  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.


PARTNER
Receptor.AI
 
UPACC
Q8IXI1

UPID:
MIRO2_HUMAN

ALTERNATIVE NAMES:
Ras homolog gene family member T2

ALTERNATIVE UPACC:
Q8IXI1; A2IDC2; Q8NF53; Q96C13; Q96S17; Q9BT60; Q9H7M8

BACKGROUND:
The protein Mitochondrial Rho GTPase 2, alternatively named Ras homolog gene family member T2, is a mitochondrial GTPase involved in the trafficking of mitochondria. Its function is crucial for the control of mitochondria's anterograde transport and their distribution within cells, playing a significant role in cellular energy dynamics.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Mitochondrial Rho GTPase 2 holds promise for uncovering novel therapeutic strategies. Given its critical role in mitochondrial trafficking and distribution, interventions targeting this protein may lead to breakthroughs in treating mitochondrial-related disorders.

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