Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.
Our high-tech, dedicated method is applied to construct targeted 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
P13073
UPID:
COX41_HUMAN
Alternative names:
Cytochrome c oxidase polypeptide IV; Cytochrome c oxidase subunit IV isoform 1
Alternative UPACC:
P13073; B2R4J2; D3DUM7; Q6P666
Background:
Cytochrome c oxidase subunit 4 isoform 1, mitochondrial, also known as Cytochrome c oxidase polypeptide IV, plays a pivotal role in the electron transport chain. It is integral to the final step of oxidative phosphorylation, facilitating the reduction of oxygen to water. This process is crucial for the production of ATP, the energy currency of the cell.
Therapeutic significance:
The protein is linked to Mitochondrial complex IV deficiency, nuclear type 16, a disorder marked by developmental regression, seizures, and brain abnormalities. Understanding the role of Cytochrome c oxidase subunit 4 isoform 1 could open doors to potential therapeutic strategies.