Focused On-demand Library for Uromodulin

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated 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.

Our high-tech, dedicated method is applied to construct 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 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

P07911

UPID:

UROM_HUMAN

Alternative names:

Tamm-Horsfall urinary glycoprotein

Alternative UPACC:

P07911; B3KP48; B3KRN9; E9PEA4; Q540J6; Q6ZS84; Q8IYG0

Background:

Uromodulin, also known as Tamm-Horsfall urinary glycoprotein, is pivotal in the biogenesis and organization of the apical membrane of epithelial cells in Henle's loop. It plays a crucial role in water barrier permeability, cytokine endocytosis, and neutrophil migration across renal epithelia. Additionally, it contributes to colloid osmotic pressure in urine, inhibits salt crystal formation, and protects against urinary tract infections by binding to type 1 fimbriated E.coli.

Therapeutic significance:

Uromodulin's association with autosomal dominant tubulointerstitial kidney disease underscores its therapeutic potential. Understanding its role could open doors to novel strategies for managing kidney function loss, hyperuricemia, and urinary tract infections, highlighting its significance in renal health and disease.