AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Aquaporin-5

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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

We utilise our cutting-edge, exclusive workflow to develop focused 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 is unique due to several crucial aspects:

  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

P55064

UPID:

AQP5_HUMAN

Alternative names:

-

Alternative UPACC:

P55064; Q6FGW8

Background:

Aquaporin-5 plays a crucial role in maintaining water homeostasis in the body, facilitating water transport across cell membranes. This protein is pivotal in fluid secretion in salivary glands, aiding in the regulation of salivary fluid composition and volume. Additionally, Aquaporin-5 is involved in the activation of TRPV4 channels in response to hypotonic stress, contributing to cell volume regulation in salivary epithelial cells. Its presence in the eye, lung, and sweat glands underscores its importance in water transport across various tissues.

Therapeutic significance:

Aquaporin-5's association with Keratoderma, palmoplantar, Bothnian type, a dermatological condition marked by hyperkeratosis, highlights its potential as a therapeutic target. Understanding the role of Aquaporin-5 could open doors to potential therapeutic strategies for managing this skin disorder and improving patient quality of life.

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