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.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q86WW8
UPID:
COA5_HUMAN
Alternative names:
-
Alternative UPACC:
Q86WW8
Background:
Cytochrome c oxidase assembly factor 5 plays a crucial role in the mitochondrial complex IV assembly process. This protein is essential for the efficient function of the mitochondria, the powerhouse of the cell, by facilitating the assembly of complex IV, a key component of the electron transport chain.
Therapeutic significance:
The protein is linked to Mitochondrial complex IV deficiency, nuclear type 9, a severe infantile disorder characterized by hypertrophic cardiomyopathy and mitochondrial dysfunction. Understanding the role of Cytochrome c oxidase assembly factor 5 could open doors to potential therapeutic strategies for this fatal condition.