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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Our library distinguishes itself through several key aspects:
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.