AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Aquaporin-1

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.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We employ our advanced, specialised process to create 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.

Our library stands out due to several important features:

  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

P29972

UPID:

AQP1_HUMAN

Alternative names:

Aquaporin-CHIP; Urine water channel; Water channel protein for red blood cells and kidney proximal tubule

Alternative UPACC:

P29972; B5BU39; E7EM69; E9PC21; F5GY19; Q8TBI5; Q8TDC1

Background:

Aquaporin-1, also known as Aquaporin-CHIP, Urine water channel, and Water channel protein for red blood cells and kidney proximal tubule, plays a crucial role in water balance and homeostasis. It forms a water-specific channel that enhances the plasma membranes of red cells and kidney proximal tubules' permeability to water, facilitating water movement according to osmotic gradients. Additionally, it is a component of the ankyrin-1 complex, crucial for the stability and shape of the erythrocyte membrane.

Therapeutic significance:

Understanding the role of Aquaporin-1 could open doors to potential therapeutic strategies.

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