Focused On-demand Library for Transient receptor potential cation channel subfamily V member 4

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.

Our top-notch dedicated system is used to design specialised libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.

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

Q9HBA0

UPID:

TRPV4_HUMAN

Alternative names:

Osm-9-like TRP channel 4; Transient receptor potential protein 12; Vanilloid receptor-like channel 2; Vanilloid receptor-like protein 2; Vanilloid receptor-related osmotically-activated channel

Alternative UPACC:

Q9HBA0; B7ZKQ6; Q17R79; Q2Y122; Q2Y123; Q2Y124; Q86YZ6; Q8NDY7; Q8NG64; Q96Q92; Q96RS7; Q9HBC0

Background:

Transient receptor potential cation channel subfamily V member 4 (TRPV4) is a versatile protein involved in osmotic sensitivity, mechanosensitivity, and plays a pivotal role in calcium ion permeability across cell membranes. Its activation is influenced by various stimuli including hypotonicity, heat, and phorbol esters, contributing to diverse cellular functions from cell-cell junction formation to bone and cartilage development.

Therapeutic significance:

TRPV4's involvement in a wide array of diseases, from skeletal dysplasias like Brachyolmia 3 and Metatropic dysplasia to neuromuscular disorders such as Charcot-Marie-Tooth disease, underscores its potential as a therapeutic target. Understanding the role of TRPV4 could open doors to potential therapeutic strategies for these conditions.