Focused On-demand Library for Transient receptor potential cation channel subfamily M member 7

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


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 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
Q96QT4

UPID:
TRPM7_HUMAN

ALTERNATIVE NAMES:
Channel-kinase 1; Long transient receptor potential channel 7

ALTERNATIVE UPACC:
Q96QT4; Q6ZMF5; Q86VJ4; Q8NBW2; Q9BXB2; Q9NXQ2

BACKGROUND:
The protein known as Transient receptor potential cation channel subfamily M member 7, or TRPM7, serves dual functions as both an ion channel and a kinase. It facilitates the flow of calcium and magnesium ions, crucial for cellular functions and survival, especially under anoxic conditions. TRPM7's kinase activity directly influences its channel operations, indicating its role in cellular ion homeostasis and signaling pathways.

THERAPEUTIC SIGNIFICANCE:
Given TRPM7's association with the Amyotrophic lateral sclerosis-parkinsonism/dementia complex 1, its study is vital for developing novel therapeutic approaches. The protein's dual functionality offers unique intervention points for drug discovery, aiming to alleviate symptoms or halt the progression of related neurodegenerative diseases.

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