Focused On-demand Library for Mitochondrial Rho GTPase 2

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.

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

Reaxense

upacc

Q8IXI1

UPID:

MIRO2_HUMAN

Alternative names:

Ras homolog gene family member T2

Alternative UPACC:

Q8IXI1; A2IDC2; Q8NF53; Q96C13; Q96S17; Q9BT60; Q9H7M8

Background:

Mitochondrial Rho GTPase 2, also known as Ras homolog gene family member T2, plays a crucial role in mitochondrial trafficking. It is primarily involved in the control of anterograde transport of mitochondria, influencing their subcellular distribution. This protein's activity is essential for maintaining mitochondrial dynamics and function.

Therapeutic significance:

Understanding the role of Mitochondrial Rho GTPase 2 could open doors to potential therapeutic strategies. Its involvement in mitochondrial distribution and function suggests that targeting this protein could offer new avenues for treating diseases linked to mitochondrial dysfunction.