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.
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 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.
We use our state-of-the-art dedicated workflow for designing focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q9UP95
UPID:
S12A4_HUMAN
Alternative names:
Electroneutral potassium-chloride cotransporter 1; Erythroid K-Cl cotransporter 1
Alternative UPACC:
Q9UP95; B4DF69; B4DR04; B4DZ82; B7ZAV0; F5H066; F5H0S9; F5H3C0; O60632; O75893; Q13953; Q96LD5
Background:
Solute carrier family 12 member 4, also known as the electroneutral potassium-chloride cotransporter 1 (KCC1), plays a pivotal role in cellular processes. It mediates potassium-chloride cotransport in response to cell swelling, contributing to cell volume homeostasis. Additionally, KCC1 may regulate basolateral chloride exit in sodium chloride absorbing epithelia, highlighting its importance in maintaining electrolyte balance.
Therapeutic significance:
Understanding the role of Solute carrier family 12 member 4 could open doors to potential therapeutic strategies. Its involvement in electrolyte balance and cell volume regulation presents it as a target for addressing disorders related to ion transport and fluid balance.