Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 our associate Reaxense.
The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our high-tech, dedicated method is applied to construct targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.
Key features that set our library apart include:
partner
Reaxense
upacc
P51801
UPID:
CLCKB_HUMAN
Alternative names:
ClC-K2
Alternative UPACC:
P51801; B3KUY3; Q5T5Q7; Q5T5Q8
Background:
Chloride channel protein ClC-Kb, also known as ClC-K2, plays a pivotal role in the regulation of cell volume, membrane potential stabilization, signal transduction, and transepithelial transport. This voltage-gated chloride channel is crucial in urinary concentrating mechanisms.
Therapeutic significance:
ClC-Kb is implicated in Bartter syndrome types 3 and 4B, disorders characterized by impaired salt reabsorption, hypokalemic metabolic alkalosis, and hypercalciuria. Bartter syndrome 4B is also associated with sensorineural deafness. Understanding the role of ClC-Kb could lead to novel therapeutic strategies for these conditions.