Focused On-demand Library for Chloride channel protein 1

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.


We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.


We employ our advanced, specialised process to create targeted libraries for ion channels.


 

Fig. 1. The screening workflow of Receptor.AI

The method involves in-depth molecular simulations of the ion channel in its native membrane environment, including its open, closed, and inactivated states, along with ensemble virtual screening that focuses on conformational mobility for each state. Tentative binding pockets are identified inside the pore, in the gating area, and at allosteric sites to address every conceivable mechanism of action.


Key features that set our library apart include:


  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.

  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.

  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.

  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

PARTNER
Receptor.AI
 
UPACC
P35523

UPID:
CLCN1_HUMAN

ALTERNATIVE NAMES:
Chloride channel protein, skeletal muscle

ALTERNATIVE UPACC:
P35523; A4D2H5; Q2M202

BACKGROUND:
Chloride channel protein 1 functions as a critical component in skeletal muscle physiology, facilitating the repolarization of muscle cell membranes post-contraction. Its operation as a voltage-gated chloride channel underscores its importance in maintaining muscle cell stability and function. The protein's absence of conserved gating glutamate residues signifies its membership in the CLC channel family, which plays diverse roles in cellular ion homeostasis.

THERAPEUTIC SIGNIFICANCE:
Mutations affecting Chloride channel protein 1 are causative for Myotonia congenita in both its autosomal dominant and recessive variants, leading to significant muscle dysfunction. The exploration of Chloride channel protein 1's mechanisms and its involvement in these diseases holds promise for the development of novel therapeutic approaches, aiming to alleviate the symptoms and improve the quality of life for affected individuals.

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