Focused On-demand Library for Solute carrier family 12 member 4

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 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.

Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.

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

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.