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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We utilise our cutting-edge, exclusive workflow to develop 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
P00414
UPID:
COX3_HUMAN
Alternative names:
Cytochrome c oxidase polypeptide III
Alternative UPACC:
P00414; Q14Y83
Background:
Cytochrome c oxidase subunit 3, also known as Cytochrome c oxidase polypeptide III, plays a pivotal role in the mitochondrial electron transport chain, driving oxidative phosphorylation. This enzyme is crucial for the reduction of oxygen to water, facilitating the transfer of electrons and protons necessary for ATP synthesis. Its function underscores the complex interplay within the respiratory chain, highlighting its importance in cellular energy production.
Therapeutic significance:
The protein's association with diseases such as Leber hereditary optic neuropathy, Mitochondrial complex IV deficiency, and Recurrent myoglobinuria mitochondrial underscores its clinical relevance. These conditions, ranging from visual impairment to severe multisystem disorders, underscore the therapeutic potential of targeting Cytochrome c oxidase subunit 3. Understanding its role could pave the way for innovative treatments for mitochondrial diseases, offering hope for patients affected by these genetic conditions.