Focused On-demand Library for Chloride channel protein 1

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.

Our high-tech, dedicated method is applied to construct targeted libraries for ion channels.

Fig. 1. The sreening workflow of Receptor.AI

It includes extensive molecular simulations of the channel in its native membrane environment in open, closed and inactivated forms and the ensemble virtual screening accounting for conformational mobility in each of these states. Tentative binding pockets are considered inside the pore, in the gating region and in the allosteric locations to cover the whole spectrum of possible mechanisms 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

Reaxense

upacc

P35523

UPID:

CLCN1_HUMAN

Alternative names:

Chloride channel protein, skeletal muscle

Alternative UPACC:

P35523; A4D2H5; Q2M202

Background:

Chloride channel protein 1, also known as Chloride channel protein, skeletal muscle, is a pivotal voltage-gated chloride channel. It plays a crucial role in membrane repolarization in skeletal muscle cells following muscle contraction, ensuring proper muscle function. This protein's unique structure, lacking conserved gating glutamate residues, categorizes it within the CLC channel family, which includes both chloride channels and proton-coupled anion transporters.

Therapeutic significance:

The protein is directly linked to Myotonia congenita, both autosomal dominant and recessive forms, characterized by muscle stiffness and difficulty relaxing muscles after contraction. Understanding the role of Chloride channel protein 1 in these conditions could lead to targeted therapeutic strategies, potentially offering relief for patients suffering from these muscle disorders.