Focused On-demand Library for Mitofusin-2

Details

Focused On-demand Libraries - Receptor.AI 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.


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.


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


 

Fig. 1. The screening 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.


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
O95140

UPID:
MFN2_HUMAN

ALTERNATIVE NAMES:
Transmembrane GTPase MFN2

ALTERNATIVE UPACC:
O95140; A8K1B3; O95572; Q5JXC3; Q5JXC4; Q9H131; Q9NSX8

BACKGROUND:
Mitofusin-2, also known as Transmembrane GTPase MFN2, is integral to mitochondrial fusion and dynamics. It orchestrates mitochondrial clustering and fusion, essential for cellular energy management and apoptosis. Its role in mitophagy, the selective autophagy of mitochondria, underscores its importance in cellular health. Additionally, Mitofusin-2 is implicated in the regulation of vascular smooth muscle cell proliferation and the unfolded protein response, highlighting its multifaceted influence on cellular physiology.

THERAPEUTIC SIGNIFICANCE:
The association of Mitofusin-2 with Charcot-Marie-Tooth disease types 2A2A and 2A2B, alongside hereditary motor and sensory neuropathy with optic atrophy, underscores its therapeutic potential. Targeting Mitofusin-2 could lead to innovative treatments for these genetic disorders, emphasizing the importance of further research into its functions and disease mechanisms.

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