Focused On-demand Library for Chloride channel protein 1

Focused On-demand Libraries - Reaxense 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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

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.

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

Fig. 1. The sreening workflow of Receptor.AI

This process includes comprehensive molecular simulations of the ion channel in its native membrane environment, depicting its open, closed, and inactivated states, and ensemble virtual screening that accounts for conformational mobility in each state. Tentative binding pockets are investigated inside the pore, at the gating region, and in allosteric sites to cover the full spectrum of possible mechanisms of action.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

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.