Focused On-demand Library for Mitofusin-1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed 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 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

Q8IWA4

UPID:

MFN1_HUMAN

Alternative names:

Fzo homolog; Transmembrane GTPase MFN1

Alternative UPACC:

Q8IWA4; A0A0C4DFN1; B2RAR1; D3DNR6; O15323; O60639; Q9BZB5; Q9NWQ2

Background:

Mitofusin-1, known alternatively as Fzo homolog and Transmembrane GTPase MFN1, plays a pivotal role in mitochondrial dynamics. This protein is essential for mitochondrial outer membrane fusion, a process mediated by its GTPase activity. The balance between mitochondrial fusion and fission is crucial for maintaining mitochondrial morphology, with overexpression of Mitofusin-1 leading to the formation of mitochondrial networks. Its function involves significant rearrangement of coiled coil domains, highlighting its complex structural dynamics.

Therapeutic significance:

Understanding the role of Mitofusin-1 could open doors to potential therapeutic strategies. Its central role in mitochondrial dynamics makes it a key target for interventions aimed at diseases linked to mitochondrial dysfunction.