Focused On-demand Library for Aquaporin-10

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.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

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

Q96PS8

UPID:

AQP10_HUMAN

Alternative names:

Aquaglyceroporin-10; Small intestine aquaporin

Alternative UPACC:

Q96PS8; Q5VYD3; Q5VYD4; Q8NG70

Background:

Aquaporin-10, also known as Aquaglyceroporin-10 and Small intestine aquaporin, is a pivotal protein that facilitates water transport across cell membranes, a process essential for maintaining cellular homeostasis. This protein uniquely mediates water flow irrespective of cytosolic pH and is notably permeable to glycerol under acidic conditions. Its role extends to adipocyte water and glycerol permeability, influencing glycerol utilization from phospholipid degradation, and is speculated to assist in intestinal water transport.

Therapeutic significance:

Understanding the role of Aquaporin-10 could open doors to potential therapeutic strategies, particularly in managing conditions related to water and glycerol transport dysregulation.