AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Mitochondrial Rho GTPase 1

Available from Reaxense
Predicted by Alphafold

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.

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

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.

We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.

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

Q8IXI2

UPID:

MIRO1_HUMAN

Alternative names:

Rac-GTP-binding protein-like protein; Ras homolog gene family member T1

Alternative UPACC:

Q8IXI2; A4FVB6; A6NFV0; B4DG48; J9JIH9; Q6NUR3; Q6P9F8; Q6PJG1; Q6YMW8; Q86UB0; Q8IW28; Q8IXJ7; Q9H067; Q9H9N8; Q9NUZ2

Background:

Mitochondrial Rho GTPase 1, also known as Rac-GTP-binding protein-like protein and Ras homolog gene family member T1, plays a crucial role in mitochondrial trafficking. It is primarily involved in the control of anterograde transport of mitochondria and their subcellular distribution. Additionally, it promotes mitochondrial fission during high calcium conditions, highlighting its importance in cellular energy dynamics and signaling.

Therapeutic significance:

Understanding the role of Mitochondrial Rho GTPase 1 could open doors to potential therapeutic strategies. Its involvement in mitochondrial dynamics suggests a pivotal role in cellular health and disease, offering a promising target for drug discovery efforts aimed at modulating mitochondrial function.

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