Focused On-demand Library for Hemoglobin subunit alpha

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.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

We employ our advanced, specialised process to create targeted libraries for receptors.

 Fig. 1. The sreening workflow of Receptor.AI

It includes extensive molecular simulations of the receptor in its native membrane environment and the ensemble virtual screening accounting for its conformational mobility. In the case of dimeric or oligomeric receptors, the whole functional complex is modelled, and the tentative binding pockets are determined on and between the subunits to cover the whole spectrum of possible mechanisms of action.

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.







Alternative names:

Alpha-globin; Hemoglobin alpha chain

Alternative UPACC:

P69905; P01922; Q1HDT5; Q3MIF5; Q53F97; Q96KF1; Q9NYR7; Q9UCM0


Hemoglobin subunit alpha, known alternatively as Alpha-globin or Hemoglobin alpha chain, plays a crucial role in oxygen transport from the lungs to peripheral tissues. Its unique structure facilitates the efficient delivery of oxygen, essential for cellular metabolism and function. Additionally, Hemopressin, a peptide derived from the alpha-globin, acts as an antagonist to the cannabinoid receptor CNR1, blocking its signaling pathways.

Therapeutic significance:

The alpha-globin gene is implicated in several hematological disorders, including Heinz body anemias, Alpha-thalassemia, and Hemoglobin H disease. These conditions range from mild to severe anemias, affecting millions worldwide. Understanding the genetic and molecular basis of these diseases offers potential for targeted gene therapies, improving patient outcomes and quality of life.

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