AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Secretin receptor

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.

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.

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

 Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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

P47872

UPID:

SCTR_HUMAN

Alternative names:

-

Alternative UPACC:

P47872; Q12961; Q13213; Q53T00

Background:

The Secretin Receptor, encoded by the gene P47872, plays a pivotal role in various physiological processes, including the regulation of duodenal pH, food intake, water homeostasis, and thermogenesis. It functions as a receptor for secretin, activating adenylyl cyclase through G protein signaling, leading to the inhibition of gastric acid secretion and stimulation of bicarbonate production. Additionally, it activates brown fat thermogenesis, promoting satiation, and regulates renal water reabsorption.

Therapeutic significance:

Understanding the role of the Secretin Receptor could open doors to potential therapeutic strategies. Its involvement in regulating digestive processes, appetite, and energy balance positions it as a promising target for addressing metabolic disorders and obesity.

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