AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Neutrophil cytosol factor 2

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

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.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

Our top-notch dedicated system is used to design specialised libraries.

 Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.

Key features that set our library apart include:

  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

P19878

UPID:

NCF2_HUMAN

Alternative names:

67 kDa neutrophil oxidase factor; NADPH oxidase activator 2; Neutrophil NADPH oxidase factor 2; p67-phox

Alternative UPACC:

P19878; B2R6Q1; B4DKQ7; B4DQA7; E9PHJ2; E9PHX3; Q2PP06; Q8NFC7; Q9BV51

Background:

Neutrophil cytosol factor 2 (NCF2), also known by alternative names such as 67 kDa neutrophil oxidase factor and p67-phox, plays a pivotal role in the body's defense mechanism. It is essential for the activation of the latent NADPH oxidase, a critical enzyme necessary for the production of superoxide, a reactive oxygen species. This process is vital for the effective functioning of phagocytes, cells that protect the body by ingesting harmful foreign particles, bacteria, and dead or dying cells.

Therapeutic significance:

NCF2's dysfunction is directly linked to Granulomatous disease, chronic, autosomal recessive, 2, a severe immunodeficiency characterized by recurrent infections and chronic inflammation. Understanding the role of NCF2 could open doors to potential therapeutic strategies for enhancing phagocyte function and treating chronic granulomatous disease.

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