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.
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
Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q15080
UPID:
NCF4_HUMAN
Alternative names:
Neutrophil NADPH oxidase factor 4; SH3 and PX domain-containing protein 4; p40-phox
Alternative UPACC:
Q15080; A8K4F9; O60808; Q86U56; Q9BU98; Q9NP45
Background:
Neutrophil cytosol factor 4, also known as Neutrophil NADPH oxidase factor 4, SH3 and PX domain-containing protein 4, or p40-phox, plays a crucial role in the body's immune response. As a component of the NADPH-oxidase system, it is pivotal in the oxidative burst that enables phagocytes to destroy pathogens by generating reactive oxygen species.
Therapeutic significance:
The protein's malfunction is linked to Granulomatous disease, chronic, autosomal recessive, 3, characterized by severe infections and chronic inflammation. Targeting the pathways involving Neutrophil cytosol factor 4 could lead to innovative treatments for this immunodeficiency.