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.
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 utilise our cutting-edge, exclusive workflow to develop focused 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.
Key features that set our library apart include:
partner
Reaxense
upacc
O95140
UPID:
MFN2_HUMAN
Alternative names:
Transmembrane GTPase MFN2
Alternative UPACC:
O95140; A8K1B3; O95572; Q5JXC3; Q5JXC4; Q9H131; Q9NSX8
Background:
Mitofusin-2, a mitochondrial outer membrane GTPase, plays a pivotal role in mitochondrial dynamics, influencing both mitochondrial clustering and fusion. Its activity is crucial for maintaining the equilibrium between mitochondrial fusion and fission, which in turn determines mitochondrial morphology. Notably, Mitofusin-2's function extends beyond structural organization, contributing to mitochondrial metabolism, potentially impacting obesity, apoptosis, vascular smooth muscle cell proliferation, and the clearance of damaged mitochondria through mitophagy.
Therapeutic significance:
Given its involvement in Charcot-Marie-Tooth disease types 2A2A and 2A2B, and hereditary motor and sensory neuropathy with optic atrophy, Mitofusin-2 represents a significant target for therapeutic intervention. Understanding the role of Mitofusin-2 could open doors to potential therapeutic strategies, particularly in addressing the underlying genetic variants that contribute to these neuropathies.