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

Details

Focused On-demand Libraries - Receptor.AI 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 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 use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.


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
Receptor.AI
 
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:
The protein Transient receptor potential cation channel subfamily V member 4, also known as TRPV4, is integral to cellular responses to mechanical, thermal, and osmotic changes. It regulates calcium influx, influencing processes such as intercellular barrier formation, synoviocyte function, and adipocyte metabolism.

THERAPEUTIC SIGNIFICANCE:
Given TRPV4's critical role in diseases ranging from skeletal abnormalities like Spondylometaphyseal dysplasia to neuromuscular disorders including distal hereditary motor neuronopathy, targeting TRPV4 offers a promising avenue for developing novel treatments for these diverse conditions.

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