Focused On-demand Library for Amiloride-sensitive amine oxidase [copper-containing]

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner 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.

We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

P19801

UPID:

AOC1_HUMAN

Alternative names:

Amiloride-binding protein 1; Amine oxidase copper domain-containing protein 1; Histaminase; Kidney amine oxidase

Alternative UPACC:

P19801; C9J690; Q16683; Q16684; Q56II4; Q6GU42

Background:

Amiloride-sensitive amine oxidase [copper-containing], also known as Amiloride-binding protein 1, Amine oxidase copper domain-containing protein 1, Histaminase, and Kidney amine oxidase, plays a crucial role in the degradation of biogenic amines such as putrescine, histamine, spermine, and spermidine. These compounds are pivotal in various physiological processes including allergic and immune responses, cell proliferation, tissue differentiation, tumor formation, and apoptosis.

Therapeutic significance:

Understanding the role of Amiloride-sensitive amine oxidase [copper-containing] could open doors to potential therapeutic strategies. Its involvement in the regulation of compounds critical to immune responses and cell proliferation highlights its potential as a target in treating diseases related to immune system dysregulation and cancer.