Focused On-demand Library for Mitochondrial Rho GTPase 1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

We employ our advanced, specialised process to create targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

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.